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

C19H22N4O2 — CID 56782101

IUPACN-methyl-3-[(1-phenylpyrrolidin-3-yl)carbamoylamino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)NC2CCN(c3ccccc3)C2)c1
InChIInChI=1S/C19H22N4O2/c1-20-18(24)14-6-5-7-15(12-14)21-19(25)22-16-10-11-23(13-16)17-8-3-2-4-9-17/h2-9,12,16H,10-11,13H2,1H3,(H,20,24)(H2,21,22,25)
InChIKeyMAPLAAXTHRSTLY-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.45
Rot. Bonds4

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

N-methyl-3-[(1-phenylpyrrolidin-3-yl)carbamoylamino]benzamide (PubChem CID 56782101) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-methyl-3-[(1-phenylpyrrolidin-3-yl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(1-phenylpyrrolidin-3-yl)carbamoylamino]benzamide
PubChem CID56782101
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-methyl-3-[(1-phenylpyrrolidin-3-yl)carbamoylamino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)NC2CCN(c3ccccc3)C2)c1
InChIInChI=1S/C19H22N4O2/c1-20-18(24)14-6-5-7-15(12-14)21-19(25)22-16-10-11-23(13-16)17-8-3-2-4-9-17/h2-9,12,16H,10-11,13H2,1H3,(H,20,24)(H2,21,22,25)
InChIKeyMAPLAAXTHRSTLY-UHFFFAOYSA-N
XLogP2.45
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122
3-[(1-phenylpiperidin-4-yl)amino]benzoic acid
CID 164589789
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
CID 110459954
3-bromo-N-[2-[[N'-methyl-N-(1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111909364
N-methyl-4-[[[N'-methyl-N-(1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111909258
1-[(3S)-1-phenylpyrrolidin-3-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 124507997
1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea
CID 167749594
1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea
CID 86837924
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(1-phenylpyrrolidin-3-yl)carbamoylamino]benzamide?
The IUPAC name of N-methyl-3-[(1-phenylpyrrolidin-3-yl)carbamoylamino]benzamide (CID 56782101) is N-methyl-3-[(1-phenylpyrrolidin-3-yl)carbamoylamino]benzamide.
What is the SMILES notation for N-methyl-3-[(1-phenylpyrrolidin-3-yl)carbamoylamino]benzamide?
The canonical SMILES for N-methyl-3-[(1-phenylpyrrolidin-3-yl)carbamoylamino]benzamide is CNC(=O)c1cccc(NC(=O)NC2CCN(c3ccccc3)C2)c1.
What is the InChIKey of N-methyl-3-[(1-phenylpyrrolidin-3-yl)carbamoylamino]benzamide?
The InChIKey is MAPLAAXTHRSTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-20-18(24)14-6-5-7-15(12-14)21-19(25)22-16-10-11-23(13-16)17-8-3-2-4-9-17/h2-9,12,16H,10-11,13H2,1H3,(H,20,24)(H2,21,22,25).
What are the key properties of N-methyl-3-[(1-phenylpyrrolidin-3-yl)carbamoylamino]benzamide?
N-methyl-3-[(1-phenylpyrrolidin-3-yl)carbamoylamino]benzamide has a molecular weight of 338.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(1-phenylpyrrolidin-3-yl)carbamoylamino]benzamide is sourced from PubChem (CID 56782101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).