4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide

C17H18ClN3O2 — CID 78775923

IUPAC4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c1-11(13-6-8-15(18)9-7-13)21-16(22)14-4-2-12(3-5-14)10-20-17(19)23/h2-9,11H,10H2,1H3,(H,21,22)(H3,19,20,23)
InChIKeyRJPPZAVGOYYDKM-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.00
Rot. Bonds5

About 4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide

4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide (PubChem CID 78775923) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide
PubChem CID78775923
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c1-11(13-6-8-15(18)9-7-13)21-16(22)14-4-2-12(3-5-14)10-20-17(19)23/h2-9,11H,10H2,1H3,(H,21,22)(H3,19,20,23)
InChIKeyRJPPZAVGOYYDKM-UHFFFAOYSA-N
XLogP3.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 78772937
4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 78808360
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8623654
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7948805
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 8751478
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]propanoate
CID 60669043
4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79027939
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide
CID 35018877
4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 78804735
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide (CID 78775923) is 4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide is CC(NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide?
The InChIKey is RJPPZAVGOYYDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11(13-6-8-15(18)9-7-13)21-16(22)14-4-2-12(3-5-14)10-20-17(19)23/h2-9,11H,10H2,1H3,(H,21,22)(H3,19,20,23).
What are the key properties of 4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide?
4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide has a molecular weight of 331.80 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[1-(4-chlorophenyl)ethyl]benzamide is sourced from PubChem (CID 78775923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).