5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide

C21H22ClN3O4 — CID 121062446

IUPAC5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C21H22ClN3O4/c1-29-18-9-6-15(22)12-17(18)21(28)25-16-7-4-14(5-8-16)20(27)24-11-10-23-19(26)13-2-3-13/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyDNLKTIDBBFEXSE-UHFFFAOYSA-N
MW415.88 g/mol
LogP2.86
Rot. Bonds8

About 5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide

5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide (PubChem CID 121062446) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is 5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide
PubChem CID121062446
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC Name5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C21H22ClN3O4/c1-29-18-9-6-15(22)12-17(18)21(28)25-16-7-4-14(5-8-16)20(27)24-11-10-23-19(26)13-2-3-13/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyDNLKTIDBBFEXSE-UHFFFAOYSA-N
XLogP2.86
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide 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-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide
CID 121062396
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 8503683
cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate
CID 17128661
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide
CID 121062466
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 121062397
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide
CID 51153110
2-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-5-nitrobenzamide
CID 121062477
5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108540887
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide
CID 121062566
4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144380

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide (CID 121062446) is 5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1.
What is the InChIKey of 5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide?
The InChIKey is DNLKTIDBBFEXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-29-18-9-6-15(22)12-17(18)21(28)25-16-7-4-14(5-8-16)20(27)24-11-10-23-19(26)13-2-3-13/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of 5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide?
5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide has a molecular weight of 415.88 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 121062446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).