3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide

C18H19ClN2O2 — CID 54780708

IUPAC3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-20-17(22)11-6-13-4-9-16(10-5-13)21-18(23)12-14-2-7-15(19)8-3-14/h2-5,7-10H,6,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyQIDLOARGJYLEKL-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.20
Rot. Bonds6

About 3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide

3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide (PubChem CID 54780708) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide
PubChem CID54780708
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-20-17(22)11-6-13-4-9-16(10-5-13)21-18(23)12-14-2-7-15(19)8-3-14/h2-5,7-10H,6,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyQIDLOARGJYLEKL-UHFFFAOYSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide
CID 54780838
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
N-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide
CID 68816989
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780710
3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide
CID 108922560
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide
CID 134062889
2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide
CID 112980356
3-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 84581881
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide
CID 35365510
N,3-bis(4-methylphenyl)propanamide
CID 19220434

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide?
The IUPAC name of 3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide (CID 54780708) is 3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide?
The canonical SMILES for 3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide is CNC(=O)CCc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide?
The InChIKey is QIDLOARGJYLEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-20-17(22)11-6-13-4-9-16(10-5-13)21-18(23)12-14-2-7-15(19)8-3-14/h2-5,7-10H,6,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide?
3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide has a molecular weight of 330.82 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide is sourced from PubChem (CID 54780708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).