2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide

C14H20ClN3O2 — CID 47112271

IUPAC2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c1-4-7-16-13(19)10(3)17-14(20)18-11-6-5-9(2)12(15)8-11/h5-6,8,10H,4,7H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeyNFYRIROINQOKIZ-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.68
Rot. Bonds5

About 2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide

2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide (PubChem CID 47112271) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide
PubChem CID47112271
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c1-4-7-16-13(19)10(3)17-14(20)18-11-6-5-9(2)12(15)8-11/h5-6,8,10H,4,7H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeyNFYRIROINQOKIZ-UHFFFAOYSA-N
XLogP2.68
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methylanilino)-N-propylpropanamide
CID 43086867
methyl 2-[(3-chloro-4-methylphenyl)carbamoylamino]propanoate
CID 3416421
1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
CID 63731547
2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide
CID 47133143
(2S)-2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
CID 127038916
N-butyl-2-(3-chloro-4-methylanilino)propanamide
CID 43112915
(2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 51981491
(2S)-2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-N-propylpropanamide
CID 9095750
1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea
CID 63733150
(2R)-2-[(4-nitrophenyl)carbamoylamino]-N-propylpropanamide
CID 39963659
[2-(3-chloro-4-methylanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887138
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide
CID 82358486

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide?
The IUPAC name of 2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide (CID 47112271) is 2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide is CCCNC(=O)C(C)NC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide?
The InChIKey is NFYRIROINQOKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-4-7-16-13(19)10(3)17-14(20)18-11-6-5-9(2)12(15)8-11/h5-6,8,10H,4,7H2,1-3H3,(H,16,19)(H2,17,18,20).
What are the key properties of 2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide?
2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide has a molecular weight of 297.79 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide is sourced from PubChem (CID 47112271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).