2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide

C16H16ClN3O2 — CID 119053055

IUPAC2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)Nc1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClN3O2/c1-18-15(21)10-19-16(22)20-14-7-3-5-12(9-14)11-4-2-6-13(17)8-11/h2-9H,10H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyDUQGAPIGKCVNLX-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.87
Rot. Bonds4

About 2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide

2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide (PubChem CID 119053055) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide
PubChem CID119053055
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)Nc1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClN3O2/c1-18-15(21)10-19-16(22)20-14-7-3-5-12(9-14)11-4-2-6-13(17)8-11/h2-9H,10H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyDUQGAPIGKCVNLX-UHFFFAOYSA-N
XLogP2.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide
CID 47031802
2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 5003130
2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid
CID 61199513
N-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 74237755
tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate
CID 140974829
1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea
CID 4789489
2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1057516
2-[(3-chlorophenyl)carbamoylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110370543
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]urea
CID 110601749
2-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136863892
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide?
The IUPAC name of 2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide (CID 119053055) is 2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide?
The canonical SMILES for 2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide is CNC(=O)CNC(=O)Nc1cccc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide?
The InChIKey is DUQGAPIGKCVNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-18-15(21)10-19-16(22)20-14-7-3-5-12(9-14)11-4-2-6-13(17)8-11/h2-9H,10H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of 2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide?
2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide has a molecular weight of 317.78 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-chlorophenyl)phenyl]carbamoylamino]-N-methylacetamide is sourced from PubChem (CID 119053055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).