4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C13H19ClN4O2 — CID 119550546

IUPAC4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(NC(N)=O)cc1)C1CCNC1.Cl
InChIInChI=1S/C13H18N4O2.ClH/c1-17(11-6-7-15-8-11)12(18)9-2-4-10(5-3-9)16-13(14)19;/h2-5,11,15H,6-8H2,1H3,(H3,14,16,19);1H
InChIKeyBHBSVNXZQAVKCM-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.03
Rot. Bonds3

About 4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119550546) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119550546
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(NC(N)=O)cc1)C1CCNC1.Cl
InChIInChI=1S/C13H18N4O2.ClH/c1-17(11-6-7-15-8-11)12(18)9-2-4-10(5-3-9)16-13(14)19;/h2-5,11,15H,6-8H2,1H3,(H3,14,16,19);1H
InChIKeyBHBSVNXZQAVKCM-UHFFFAOYSA-N
XLogP1.03
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119549858
4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554246
4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530230
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550537
4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119554037
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119551846
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119554876
N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride
CID 154750787
4-(methoxymethyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553670

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119550546) is 4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is CN(C(=O)c1ccc(NC(N)=O)cc1)C1CCNC1.Cl.
What is the InChIKey of 4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is BHBSVNXZQAVKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2.ClH/c1-17(11-6-7-15-8-11)12(18)9-2-4-10(5-3-9)16-13(14)19;/h2-5,11,15H,6-8H2,1H3,(H3,14,16,19);1H.
What are the key properties of 4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119550546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).