5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide

C22H27ClN4O3 — CID 42661949

IUPAC5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1N1CCCC1
InChIInChI=1S/C22H27ClN4O3/c1-30-13-5-10-24-21(28)19-15-18(8-9-20(19)27-11-2-3-12-27)26-22(29)25-17-7-4-6-16(23)14-17/h4,6-9,14-15H,2-3,5,10-13H2,1H3,(H,24,28)(H2,25,26,29)
InChIKeySNPBAVXQRACNMF-UHFFFAOYSA-N
MW430.94 g/mol
LogP4.35
Rot. Bonds8

About 5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide

5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 42661949) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID42661949
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC Name5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1N1CCCC1
InChIInChI=1S/C22H27ClN4O3/c1-30-13-5-10-24-21(28)19-15-18(8-9-20(19)27-11-2-3-12-27)26-22(29)25-17-7-4-6-16(23)14-17/h4,6-9,14-15H,2-3,5,10-13H2,1H3,(H,24,28)(H2,25,26,29)
InChIKeySNPBAVXQRACNMF-UHFFFAOYSA-N
XLogP4.35
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4012992
5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3260050
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42661960
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167
5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4990355
5-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 42661850
5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3890028
5-[(2-ethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4643884
5-[(3,4-dimethylphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 4242222
N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756347
5-[(2-methoxybenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 4691580
3-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzoyl]amino]propyl hypochlorite
CID 143368272

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide (CID 42661949) is 5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide is COCCCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1N1CCCC1.
What is the InChIKey of 5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is SNPBAVXQRACNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O3/c1-30-13-5-10-24-21(28)19-15-18(8-9-20(19)27-11-2-3-12-27)26-22(29)25-17-7-4-6-16(23)14-17/h4,6-9,14-15H,2-3,5,10-13H2,1H3,(H,24,28)(H2,25,26,29).
What are the key properties of 5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide?
5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 430.94 g/mol, XLogP of 4.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 42661949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).