N-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide

C18H20ClN3O2 — CID 6472575

IUPACN-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide
SMILESCc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1NC(=O)C(C)C
InChIInChI=1S/C18H20ClN3O2/c1-11(2)17(23)22-16-12(3)5-4-6-15(16)21-18(24)20-14-9-7-13(19)8-10-14/h4-11H,1-3H3,(H,22,23)(H2,20,21,24)
InChIKeyBJAKFNVDPXFYBY-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.89
Rot. Bonds4

About N-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide

N-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide (PubChem CID 6472575) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide
PubChem CID6472575
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide
SMILESCc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1NC(=O)C(C)C
InChIInChI=1S/C18H20ClN3O2/c1-11(2)17(23)22-16-12(3)5-4-6-15(16)21-18(24)20-14-9-7-13(19)8-10-14/h4-11H,1-3H3,(H,22,23)(H2,20,21,24)
InChIKeyBJAKFNVDPXFYBY-UHFFFAOYSA-N
XLogP4.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-methyl-6-[(4-methylphenyl)carbamoylamino]phenyl]propanamide
CID 46949694
N-[2-(ethylcarbamoylamino)-6-methylphenyl]-2-methylpropanamide
CID 46949700
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
N-(4-chlorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108516687
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 4195925
4-chloro-2-[(2,6-dimethylphenyl)carbamoylamino]benzoic acid
CID 58994734
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991412
N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 977709
tris(1-(2-methylphenyl)-3-(4-propan-2-ylphenyl)urea);1-(3-methylphenyl)-3-(4-propan-2-ylphenyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 157479666

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide (CID 6472575) is N-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide is Cc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1NC(=O)C(C)C.
What is the InChIKey of N-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide?
The InChIKey is BJAKFNVDPXFYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-11(2)17(23)22-16-12(3)5-4-6-15(16)21-18(24)20-14-9-7-13(19)8-10-14/h4-11H,1-3H3,(H,22,23)(H2,20,21,24).
What are the key properties of N-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide?
N-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide has a molecular weight of 345.83 g/mol, XLogP of 4.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 6472575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).