N-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide

C23H26ClN3O3 — CID 6015814

IUPACN-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide
SMILESC/C(=N/NC(=O)CCCOc1ccc(Cl)cc1C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H26ClN3O3/c1-15-14-19(24)9-12-21(15)30-13-3-4-22(28)27-26-16(2)17-7-10-20(11-8-17)25-23(29)18-5-6-18/h7-12,14,18H,3-6,13H2,1-2H3,(H,25,29)(H,27,28)/b26-16-
InChIKeyCDRFILNNPZIDFY-QQXSKIMKSA-N
MW427.93 g/mol
LogP4.70
Rot. Bonds9

About N-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide

N-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide (PubChem CID 6015814) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is N-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide
PubChem CID6015814
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC NameN-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide
SMILESC/C(=N/NC(=O)CCCOc1ccc(Cl)cc1C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H26ClN3O3/c1-15-14-19(24)9-12-21(15)30-13-3-4-22(28)27-26-16(2)17-7-10-20(11-8-17)25-23(29)18-5-6-18/h7-12,14,18H,3-6,13H2,1-2H3,(H,25,29)(H,27,28)/b26-16-
InChIKeyCDRFILNNPZIDFY-QQXSKIMKSA-N
XLogP4.70
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[4-[N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4110646
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]butanamide
CID 6023846
2,4-dichloro-N-[4-[N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4521361
N-[1-(4-aminophenyl)ethylideneamino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 5076363
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 3355735
N-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide
CID 4619504
N-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide
CID 6165307
N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4060154
4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide
CID 3397487
4-(2,4-dichlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]butanamide
CID 4095587
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide
CID 6028022
4-(2,4-dichlorophenoxy)-N-(1-pyridin-4-ylethylideneamino)butanamide
CID 4136628

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide (CID 6015814) is N-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide is C/C(=N/NC(=O)CCCOc1ccc(Cl)cc1C)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide?
The InChIKey is CDRFILNNPZIDFY-QQXSKIMKSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-15-14-19(24)9-12-21(15)30-13-3-4-22(28)27-26-16(2)17-7-10-20(11-8-17)25-23(29)18-5-6-18/h7-12,14,18H,3-6,13H2,1-2H3,(H,25,29)(H,27,28)/b26-16-.
What are the key properties of N-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide?
N-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide has a molecular weight of 427.93 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 6015814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).