N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide

C21H22ClN3O3 — CID 30461617

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H22ClN3O3/c22-17-5-2-6-18(19(17)25-9-11-28-12-10-25)24-21(27)15-3-1-4-16(13-15)23-20(26)14-7-8-14/h1-6,13-14H,7-12H2,(H,23,26)(H,24,27)
InChIKeyJQCGDATXCPTMST-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.78
Rot. Bonds5

About N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide

N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide (PubChem CID 30461617) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide
PubChem CID30461617
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H22ClN3O3/c22-17-5-2-6-18(19(17)25-9-11-28-12-10-25)24-21(27)15-3-1-4-16(13-15)23-20(26)14-7-8-14/h1-6,13-14H,7-12H2,(H,23,26)(H,24,27)
InChIKeyJQCGDATXCPTMST-UHFFFAOYSA-N
XLogP3.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)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

N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35192310
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 4029398
3-(cyclopropanecarbonylamino)-N-(2-hydroxyphenyl)benzamide
CID 29260677
3-bromo-N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 3312197
(1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide
CID 25347228
N-[2-(2-chlorophenoxy)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 31801212
2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
CID 3968174
N-[3-[(2-morpholin-4-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 55542414
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
N-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 36542869
tert-butyl 4-[(3-chloro-2-morpholin-4-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 24614259

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide (CID 30461617) is N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide is O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide?
The InChIKey is JQCGDATXCPTMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c22-17-5-2-6-18(19(17)25-9-11-28-12-10-25)24-21(27)15-3-1-4-16(13-15)23-20(26)14-7-8-14/h1-6,13-14H,7-12H2,(H,23,26)(H,24,27).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide has a molecular weight of 399.88 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 30461617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).