4-[(phenylcarbamoylamino)methyl]benzamide

C15H15N3O2 — CID 47118035

IUPAC4-[(phenylcarbamoylamino)methyl]benzamide
SMILESNC(=O)c1ccc(CNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H15N3O2/c16-14(19)12-8-6-11(7-9-12)10-17-15(20)18-13-4-2-1-3-5-13/h1-9H,10H2,(H2,16,19)(H2,17,18,20)
InChIKeyYSGMAVXGDMYONH-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.11
Rot. Bonds4

About 4-[(phenylcarbamoylamino)methyl]benzamide

4-[(phenylcarbamoylamino)methyl]benzamide (PubChem CID 47118035) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[(phenylcarbamoylamino)methyl]benzamide.

Molecular Properties

Compound Name4-[(phenylcarbamoylamino)methyl]benzamide
PubChem CID47118035
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-[(phenylcarbamoylamino)methyl]benzamide
SMILESNC(=O)c1ccc(CNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H15N3O2/c16-14(19)12-8-6-11(7-9-12)10-17-15(20)18-13-4-2-1-3-5-13/h1-9H,10H2,(H2,16,19)(H2,17,18,20)
InChIKeyYSGMAVXGDMYONH-UHFFFAOYSA-N
XLogP2.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N'-(4-carbamoylphenyl)oxamide
CID 7584954
4-(2-phenylethylcarbamoylamino)benzamide
CID 108888099
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
(4-carbamoylphenyl)methylcarbamic acid
CID 91190690
ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451138
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide
CID 141029979
1-benzyl-3-(4-methylidenearsanylphenyl)urea
CID 158613945
4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]benzamide
CID 111030268
3-[[(4-carbamoylphenyl)carbamoylamino]methyl]-N-[4-[2-(dimethylamino)ethyl]phenyl]benzamide
CID 59190802

Frequently Asked Questions

What is the IUPAC name of 4-[(phenylcarbamoylamino)methyl]benzamide?
The IUPAC name of 4-[(phenylcarbamoylamino)methyl]benzamide (CID 47118035) is 4-[(phenylcarbamoylamino)methyl]benzamide.
What is the SMILES notation for 4-[(phenylcarbamoylamino)methyl]benzamide?
The canonical SMILES for 4-[(phenylcarbamoylamino)methyl]benzamide is NC(=O)c1ccc(CNC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[(phenylcarbamoylamino)methyl]benzamide?
The InChIKey is YSGMAVXGDMYONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-14(19)12-8-6-11(7-9-12)10-17-15(20)18-13-4-2-1-3-5-13/h1-9H,10H2,(H2,16,19)(H2,17,18,20).
What are the key properties of 4-[(phenylcarbamoylamino)methyl]benzamide?
4-[(phenylcarbamoylamino)methyl]benzamide has a molecular weight of 269.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(phenylcarbamoylamino)methyl]benzamide is sourced from PubChem (CID 47118035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).