3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide

C17H18ClN3O2 — CID 54780838

IUPAC3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClN3O2/c1-19-16(22)11-4-12-2-7-14(8-3-12)20-17(23)21-15-9-5-13(18)6-10-15/h2-3,5-10H,4,11H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyDTBLPIVVXKAKDD-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.66
Rot. Bonds5

About 3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide

3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide (PubChem CID 54780838) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide
PubChem CID54780838
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClN3O2/c1-19-16(22)11-4-12-2-7-14(8-3-12)20-17(23)21-15-9-5-13(18)6-10-15/h2-3,5-10H,4,11H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyDTBLPIVVXKAKDD-UHFFFAOYSA-N
XLogP3.66
TPSA70.23 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 ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780708
3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpropanamide
CID 90676450
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780710
N-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide
CID 68816989
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide
CID 108922560
4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780731
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
3-(4-chloroanilino)-N-methylpropanamide
CID 10899951
N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 41455606
3-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 84581881

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide?
The IUPAC name of 3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide (CID 54780838) is 3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide?
The canonical SMILES for 3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide is CNC(=O)CCc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide?
The InChIKey is DTBLPIVVXKAKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-19-16(22)11-4-12-2-7-14(8-3-12)20-17(23)21-15-9-5-13(18)6-10-15/h2-3,5-10H,4,11H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of 3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide?
3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide has a molecular weight of 331.80 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide is sourced from PubChem (CID 54780838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).