3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide

C18H20ClN3O2 — CID 4792198

IUPAC3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)CC(NC(N)=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClN3O2/c1-11-7-12(2)9-15(8-11)21-17(23)10-16(22-18(20)24)13-3-5-14(19)6-4-13/h3-9,16H,10H2,1-2H3,(H,21,23)(H3,20,22,24)
InChIKeyYHLZGBVICOKUND-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.70
Rot. Bonds5

About 3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide

3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide (PubChem CID 4792198) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide
PubChem CID4792198
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)CC(NC(N)=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClN3O2/c1-11-7-12(2)9-15(8-11)21-17(23)10-16(22-18(20)24)13-3-5-14(19)6-4-13/h3-9,16H,10H2,1-2H3,(H,21,23)(H3,20,22,24)
InChIKeyYHLZGBVICOKUND-UHFFFAOYSA-N
XLogP3.70
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32603960
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 4869879
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
3-acetamido-N-(3,5-dichlorophenyl)-3-(4-methylphenyl)propanamide
CID 55377328
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 51727191
3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide
CID 42971295
3-acetamido-3-(4-chlorophenyl)-N-(3,5-difluorophenyl)propanamide
CID 51271181
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 9480001
(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 9441398
(3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide
CID 41172294

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide (CID 4792198) is 3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide is Cc1cc(C)cc(NC(=O)CC(NC(N)=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is YHLZGBVICOKUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-11-7-12(2)9-15(8-11)21-17(23)10-16(22-18(20)24)13-3-5-14(19)6-4-13/h3-9,16H,10H2,1-2H3,(H,21,23)(H3,20,22,24).
What are the key properties of 3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide?
3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 345.83 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 4792198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).