N-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide

C18H20ClN3O2 — CID 113216357

IUPACN-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NC(C)(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClN3O2/c1-12(23)20-15-5-4-6-16(11-15)21-17(24)22-18(2,3)13-7-9-14(19)10-8-13/h4-11H,1-3H3,(H,20,23)(H2,21,22,24)
InChIKeyWNBACISUIMSLLM-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.36
Rot. Bonds4

About N-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide

N-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide (PubChem CID 113216357) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
PubChem CID113216357
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NC(C)(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClN3O2/c1-12(23)20-15-5-4-6-16(11-15)21-17(24)22-18(2,3)13-7-9-14(19)10-8-13/h4-11H,1-3H3,(H,20,23)(H2,21,22,24)
InChIKeyWNBACISUIMSLLM-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

N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
CID 113216358
1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
CID 110446838
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 113216373
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea
CID 113216338
1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216514
N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-ethylphenyl)urea
CID 113216326
1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea
CID 113216348
1-(4-chlorophenyl)-3-[2-[3-(2-hydroxyethyl)phenyl]propan-2-yl]urea
CID 90040437
N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide
CID 3608346
3-[(3-acetamidophenyl)carbamoylamino]-3-methylbutanoic acid
CID 64701609
N-(3-acetamidophenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914502

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide (CID 113216357) is N-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)NC(C)(C)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide?
The InChIKey is WNBACISUIMSLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12(23)20-15-5-4-6-16(11-15)21-17(24)22-18(2,3)13-7-9-14(19)10-8-13/h4-11H,1-3H3,(H,20,23)(H2,21,22,24).
What are the key properties of N-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide?
N-[3-[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-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 113216357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).