4-(cyclopropylcarbamoylamino)-N-phenylbenzamide

C17H17N3O2 — CID 39885806

IUPAC4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccccc2)cc1)NC1CC1
InChIInChI=1S/C17H17N3O2/c21-16(18-13-4-2-1-3-5-13)12-6-8-14(9-7-12)19-17(22)20-15-10-11-15/h1-9,15H,10-11H2,(H,18,21)(H2,19,20,22)
InChIKeyCFTLXTHXGXOCNX-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.22
Rot. Bonds4

About 4-(cyclopropylcarbamoylamino)-N-phenylbenzamide

4-(cyclopropylcarbamoylamino)-N-phenylbenzamide (PubChem CID 39885806) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(cyclopropylcarbamoylamino)-N-phenylbenzamide.

Molecular Properties

Compound Name4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
PubChem CID39885806
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccccc2)cc1)NC1CC1
InChIInChI=1S/C17H17N3O2/c21-16(18-13-4-2-1-3-5-13)12-6-8-14(9-7-12)19-17(22)20-15-10-11-15/h1-9,15H,10-11H2,(H,18,21)(H2,19,20,22)
InChIKeyCFTLXTHXGXOCNX-UHFFFAOYSA-N
XLogP3.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
CID 39890660
4-benzamido-N-cyclopentylbenzamide
CID 1262350
4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide
CID 39884786
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 46533296
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-(difluoromethylsulfanyl)benzamide
CID 55531977
N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide
CID 52559092
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide
CID 39899500
4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 55678662
4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 55677877
N-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
CID 47062558
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylcarbamoylamino)-N-phenylbenzamide?
The IUPAC name of 4-(cyclopropylcarbamoylamino)-N-phenylbenzamide (CID 39885806) is 4-(cyclopropylcarbamoylamino)-N-phenylbenzamide.
What is the SMILES notation for 4-(cyclopropylcarbamoylamino)-N-phenylbenzamide?
The canonical SMILES for 4-(cyclopropylcarbamoylamino)-N-phenylbenzamide is O=C(Nc1ccc(C(=O)Nc2ccccc2)cc1)NC1CC1.
What is the InChIKey of 4-(cyclopropylcarbamoylamino)-N-phenylbenzamide?
The InChIKey is CFTLXTHXGXOCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16(18-13-4-2-1-3-5-13)12-6-8-14(9-7-12)19-17(22)20-15-10-11-15/h1-9,15H,10-11H2,(H,18,21)(H2,19,20,22).
What are the key properties of 4-(cyclopropylcarbamoylamino)-N-phenylbenzamide?
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide has a molecular weight of 295.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylcarbamoylamino)-N-phenylbenzamide is sourced from PubChem (CID 39885806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).