2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide

C19H23ClN4O2 — CID 72871559

IUPAC2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide
SMILESCCCNC(=O)c1ccc(NC(=O)NCCCc2ccccn2)cc1Cl
InChIInChI=1S/C19H23ClN4O2/c1-2-10-22-18(25)16-9-8-15(13-17(16)20)24-19(26)23-12-5-7-14-6-3-4-11-21-14/h3-4,6,8-9,11,13H,2,5,7,10,12H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyBJZWYIRAAMGCJQ-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.63
Rot. Bonds8

About 2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide

2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide (PubChem CID 72871559) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide
PubChem CID72871559
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide
SMILESCCCNC(=O)c1ccc(NC(=O)NCCCc2ccccn2)cc1Cl
InChIInChI=1S/C19H23ClN4O2/c1-2-10-22-18(25)16-9-8-15(13-17(16)20)24-19(26)23-12-5-7-14-6-3-4-11-21-14/h3-4,6,8-9,11,13H,2,5,7,10,12H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyBJZWYIRAAMGCJQ-UHFFFAOYSA-N
XLogP3.63
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide
CID 60543564
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-pyridin-2-ylpropyl)urea
CID 118782796
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide
CID 60576494
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165
1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea
CID 60599188
2-chloro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191580
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride
CID 119747993

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide?
The IUPAC name of 2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide (CID 72871559) is 2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide?
The canonical SMILES for 2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide is CCCNC(=O)c1ccc(NC(=O)NCCCc2ccccn2)cc1Cl.
What is the InChIKey of 2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide?
The InChIKey is BJZWYIRAAMGCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-2-10-22-18(25)16-9-8-15(13-17(16)20)24-19(26)23-12-5-7-14-6-3-4-11-21-14/h3-4,6,8-9,11,13H,2,5,7,10,12H2,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of 2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide?
2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide has a molecular weight of 374.87 g/mol, XLogP of 3.63, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide is sourced from PubChem (CID 72871559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).