N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide

C15H14ClN3O2 — CID 52552945

IUPACN-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide
SMILESNC(=O)Nc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClN3O2/c16-12-5-3-11(4-6-12)14(20)18-9-10-1-7-13(8-2-10)19-15(17)21/h1-8H,9H2,(H,18,20)(H3,17,19,21)
InChIKeyBMKNOEARHBOUCM-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.76
Rot. Bonds4

About N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide

N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide (PubChem CID 52552945) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide
PubChem CID52552945
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide
SMILESNC(=O)Nc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClN3O2/c16-12-5-3-11(4-6-12)14(20)18-9-10-1-7-13(8-2-10)19-15(17)21/h1-8H,9H2,(H,18,20)(H3,17,19,21)
InChIKeyBMKNOEARHBOUCM-UHFFFAOYSA-N
XLogP2.76
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide
CID 62184890
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043482
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
1-N-benzyl-3-N-(4-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054145
4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide
CID 35018877
4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
4-(carbamoylamino)-N-[2-(4-chlorophenyl)-1-phenylethyl]benzamide
CID 55976674

Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide?
The IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide (CID 52552945) is N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide.
What is the SMILES notation for N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide?
The canonical SMILES for N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide is NC(=O)Nc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide?
The InChIKey is BMKNOEARHBOUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-12-5-3-11(4-6-12)14(20)18-9-10-1-7-13(8-2-10)19-15(17)21/h1-8H,9H2,(H,18,20)(H3,17,19,21).
What are the key properties of N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide?
N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide has a molecular weight of 303.75 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide is sourced from PubChem (CID 52552945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).