4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride

C15H20ClN3O2 — CID 119453816

IUPAC4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C15H19N3O2.ClH/c19-14(10-1-2-10)17-12-5-3-11(4-6-12)15(20)18-13-7-8-16-9-13;/h3-6,10,13,16H,1-2,7-9H2,(H,17,19)(H,18,20);1H
InChIKeyTYLAYAVJUMMQDE-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.55
Rot. Bonds4

About 4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride

4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119453816) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119453816
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C15H19N3O2.ClH/c19-14(10-1-2-10)17-12-5-3-11(4-6-12)15(20)18-13-7-8-16-9-13;/h3-6,10,13,16H,1-2,7-9H2,(H,17,19)(H,18,20);1H
InChIKeyTYLAYAVJUMMQDE-UHFFFAOYSA-N
XLogP1.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopentylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119713611
4-(cyclopropanecarbonylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537668
N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79724165
4-acetamido-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385704
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
4-(cyclopropanecarbonylamino)-N-(4-methylcyclohexyl)benzamide
CID 39031356
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452392
4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454464
N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119302107

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119453816) is 4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNC1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is TYLAYAVJUMMQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c19-14(10-1-2-10)17-12-5-3-11(4-6-12)15(20)18-13-7-8-16-9-13;/h3-6,10,13,16H,1-2,7-9H2,(H,17,19)(H,18,20);1H.
What are the key properties of 4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119453816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).