3-(carbamoylamino)-N-[(4-cyclopropylphenyl)methyl]benzamide

C18H19N3O2 — CID 119048331

IUPAC3-(carbamoylamino)-N-[(4-cyclopropylphenyl)methyl]benzamide
SMILESNC(=O)Nc1cccc(C(=O)NCc2ccc(C3CC3)cc2)c1
InChIInChI=1S/C18H19N3O2/c19-18(23)21-16-3-1-2-15(10-16)17(22)20-11-12-4-6-13(7-5-12)14-8-9-14/h1-7,10,14H,8-9,11H2,(H,20,22)(H3,19,21,23)
InChIKeySLLKVSNURGANTF-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.98
Rot. Bonds5

About 3-(carbamoylamino)-N-[(4-cyclopropylphenyl)methyl]benzamide

3-(carbamoylamino)-N-[(4-cyclopropylphenyl)methyl]benzamide (PubChem CID 119048331) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[(4-cyclopropylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[(4-cyclopropylphenyl)methyl]benzamide
PubChem CID119048331
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(carbamoylamino)-N-[(4-cyclopropylphenyl)methyl]benzamide
SMILESNC(=O)Nc1cccc(C(=O)NCc2ccc(C3CC3)cc2)c1
InChIInChI=1S/C18H19N3O2/c19-18(23)21-16-3-1-2-15(10-16)17(22)20-11-12-4-6-13(7-5-12)14-8-9-14/h1-7,10,14H,8-9,11H2,(H,20,22)(H3,19,21,23)
InChIKeySLLKVSNURGANTF-UHFFFAOYSA-N
XLogP2.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-3-(carbamoylamino)benzamide
CID 51123900
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide
CID 38205035
(1S,2R,3R,4R)-3-[[3-(benzylcarbamoyl)phenyl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 29011567
3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]benzamide
CID 8870626
3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
CID 46569381
3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 134691241
3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60527760
3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 9470765
3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
CID 31710504
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[(4-cyclopropylphenyl)methyl]benzamide?
The IUPAC name of 3-(carbamoylamino)-N-[(4-cyclopropylphenyl)methyl]benzamide (CID 119048331) is 3-(carbamoylamino)-N-[(4-cyclopropylphenyl)methyl]benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[(4-cyclopropylphenyl)methyl]benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-[(4-cyclopropylphenyl)methyl]benzamide is NC(=O)Nc1cccc(C(=O)NCc2ccc(C3CC3)cc2)c1.
What is the InChIKey of 3-(carbamoylamino)-N-[(4-cyclopropylphenyl)methyl]benzamide?
The InChIKey is SLLKVSNURGANTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c19-18(23)21-16-3-1-2-15(10-16)17(22)20-11-12-4-6-13(7-5-12)14-8-9-14/h1-7,10,14H,8-9,11H2,(H,20,22)(H3,19,21,23).
What are the key properties of 3-(carbamoylamino)-N-[(4-cyclopropylphenyl)methyl]benzamide?
3-(carbamoylamino)-N-[(4-cyclopropylphenyl)methyl]benzamide has a molecular weight of 309.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[(4-cyclopropylphenyl)methyl]benzamide is sourced from PubChem (CID 119048331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).