N-cyclopropyl-4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]benzamide

C22H23Cl2N3O3 — CID 170622621

IUPACN-cyclopropyl-4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]benzamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)C2CCC(Oc3ncc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C22H23Cl2N3O3/c23-15-11-19(24)22(25-12-15)30-18-9-3-14(4-10-18)21(29)26-16-5-1-13(2-6-16)20(28)27-17-7-8-17/h1-2,5-6,11-12,14,17-18H,3-4,7-10H2,(H,26,29)(H,27,28)
InChIKeyYHRPFAZZRTXAQK-UHFFFAOYSA-N
MW448.35 g/mol
LogP4.86
Rot. Bonds6

About N-cyclopropyl-4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]benzamide

N-cyclopropyl-4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]benzamide (PubChem CID 170622621) has the molecular formula C22H23Cl2N3O3 and a molecular weight of 448.35 g/mol. Its IUPAC name is N-cyclopropyl-4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]benzamide
PubChem CID170622621
Molecular FormulaC22H23Cl2N3O3
Molecular Weight448.35 g/mol
Exact Mass447.11
IUPAC NameN-cyclopropyl-4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]benzamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)C2CCC(Oc3ncc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C22H23Cl2N3O3/c23-15-11-19(24)22(25-12-15)30-18-9-3-14(4-10-18)21(29)26-16-5-1-13(2-6-16)20(28)27-17-7-8-17/h1-2,5-6,11-12,14,17-18H,3-4,7-10H2,(H,26,29)(H,27,28)
InChIKeyYHRPFAZZRTXAQK-UHFFFAOYSA-N
XLogP4.86
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]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-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]-N-methoxy-N-methylbenzamide
CID 170622647
4-[(3,5-dichloro-2-pyridinyl)oxy]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;formamide
CID 170622636
4-(cyclopropanecarbonylamino)-N-(4-methylcyclohexyl)benzamide
CID 39031356
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
(2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120619355
N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17133633
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide
CID 90633915
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 55895494
N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide
CID 55724790

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]benzamide (CID 170622621) is N-cyclopropyl-4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]benzamide is O=C(NC1CC1)c1ccc(NC(=O)C2CCC(Oc3ncc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]benzamide?
The InChIKey is YHRPFAZZRTXAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3/c23-15-11-19(24)22(25-12-15)30-18-9-3-14(4-10-18)21(29)26-16-5-1-13(2-6-16)20(28)27-17-7-8-17/h1-2,5-6,11-12,14,17-18H,3-4,7-10H2,(H,26,29)(H,27,28).
What are the key properties of N-cyclopropyl-4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]benzamide?
N-cyclopropyl-4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]benzamide has a molecular weight of 448.35 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]benzamide is sourced from PubChem (CID 170622621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).