4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide

C19H20N4O3 — CID 136524592

IUPAC4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
SMILESNC(=O)NCc1ccc(C(=O)NC2CCN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H20N4O3/c20-19(26)21-12-13-6-8-14(9-7-13)17(24)22-16-10-11-23(18(16)25)15-4-2-1-3-5-15/h1-9,16H,10-12H2,(H,22,24)(H3,20,21,26)
InChIKeyPPNUAJVIIKZSMJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.39
Rot. Bonds5

About 4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide

4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide (PubChem CID 136524592) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
PubChem CID136524592
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
SMILESNC(=O)NCc1ccc(C(=O)NC2CCN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H20N4O3/c20-19(26)21-12-13-6-8-14(9-7-13)17(24)22-16-10-11-23(18(16)25)15-4-2-1-3-5-15/h1-9,16H,10-12H2,(H,22,24)(H3,20,21,26)
InChIKeyPPNUAJVIIKZSMJ-UHFFFAOYSA-N
XLogP1.39
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 71839219
4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234404
3,4-dimethoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524569
5-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]furan-2-carboxamide
CID 95234398
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 164634853
3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234414
4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95239356
1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea
CID 71876955
4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide
CID 95320971
4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride
CID 119341784
4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide
CID 29206004

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide (CID 136524592) is 4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide is NC(=O)NCc1ccc(C(=O)NC2CCN(c3ccccc3)C2=O)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide?
The InChIKey is PPNUAJVIIKZSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c20-19(26)21-12-13-6-8-14(9-7-13)17(24)22-16-10-11-23(18(16)25)15-4-2-1-3-5-15/h1-9,16H,10-12H2,(H,22,24)(H3,20,21,26).
What are the key properties of 4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide?
4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide has a molecular weight of 352.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 136524592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).