N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide

C18H20ClN3O2 — CID 113216358

IUPACN-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NC(C)(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-12(23)20-15-8-10-16(11-9-15)21-17(24)22-18(2,3)13-4-6-14(19)7-5-13/h4-11H,1-3H3,(H,20,23)(H2,21,22,24)
InChIKeyGMSUPTCICQPFSG-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.36
Rot. Bonds4

About N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide

N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide (PubChem CID 113216358) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
PubChem CID113216358
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NC(C)(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-12(23)20-15-8-10-16(11-9-15)21-17(24)22-18(2,3)13-4-6-14(19)7-5-13/h4-11H,1-3H3,(H,20,23)(H2,21,22,24)
InChIKeyGMSUPTCICQPFSG-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Pencycuron
CID 91692
N-(4-{[N-(3-chlorophenyl)carbamoyl]amino}phenyl)acetamide
CID 736092
2-Chloro-N-[2-(4-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 139595262
N-[4-({[(2-methylphenyl)amino]carbonyl}amino)phenyl]acetamide
CID 2236875
N-(4-{[(3,5-dimethylanilino)carbonyl]amino}phenyl)acetamide
CID 2814306
1-(3-Chlorophenyl)-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea
CID 675297
1-(4-Chlorophenyl)-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea
CID 19168353
(R)-1-(1-(4-(4-Chlorophenyl)piperidin-1-yl)-3-methyl-1-oxobutan-2-yl)-3-phenylurea
CID 57888949
1-(4-Chlorophenyl)-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-1-methyl-urea
CID 71459063
1-(4-Chlorophenyl)-3-[3-(4-chlorophenyl)phenyl]urea
CID 135376117
1-(4-Chlorophenyl)-3-(3-phenylphenyl)urea
CID 135376575
1-(4-Chlorophenyl)-3-[3-(2-methylphenyl)phenyl]urea
CID 135376603

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide (CID 113216358) is N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)NC(C)(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide?
The InChIKey is GMSUPTCICQPFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12(23)20-15-8-10-16(11-9-15)21-17(24)22-18(2,3)13-4-6-14(19)7-5-13/h4-11H,1-3H3,(H,20,23)(H2,21,22,24).
What are the key properties of N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide?
N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide has a molecular weight of 345.83 g/mol, XLogP of 4.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 113216358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).