4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide

C17H17ClN2O2 — CID 124508573

IUPAC4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
SMILESCC(C)Oc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12(2)22-16-6-4-3-5-14(16)11-19-20-17(21)13-7-9-15(18)10-8-13/h3-12H,1-2H3,(H,20,21)/b19-11-
InChIKeyLYWDAJCSUZNFPV-ODLFYWEKSA-N
MW316.79 g/mol
LogP3.89
Rot. Bonds5

About 4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide

4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide (PubChem CID 124508573) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
PubChem CID124508573
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
SMILESCC(C)Oc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12(2)22-16-6-4-3-5-14(16)11-19-20-17(21)13-7-9-15(18)10-8-13/h3-12H,1-2H3,(H,20,21)/b19-11-
InChIKeyLYWDAJCSUZNFPV-ODLFYWEKSA-N
XLogP3.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide 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-fluoro-N-[(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 841414
4-fluoro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5412153
4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide
CID 2691883
N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide
CID 5334919
N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215609
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215445
4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5334393
2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 9215631
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
1,3-bis[(2-propan-2-yloxyphenyl)methylideneamino]thiourea
CID 2566373
4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110338654
3-nitro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 6305635

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide (CID 124508573) is 4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide is CC(C)Oc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide?
The InChIKey is LYWDAJCSUZNFPV-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12(2)22-16-6-4-3-5-14(16)11-19-20-17(21)13-7-9-15(18)10-8-13/h3-12H,1-2H3,(H,20,21)/b19-11-.
What are the key properties of 4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide?
4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide has a molecular weight of 316.79 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 124508573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).