2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide

C19H22ClN3O2 — CID 60512943

IUPAC2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide
SMILESCC(C)N(CC(=O)NC(=O)Nc1ccccc1)Cc1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O2/c1-14(2)23(12-15-7-6-8-16(20)11-15)13-18(24)22-19(25)21-17-9-4-3-5-10-17/h3-11,14H,12-13H2,1-2H3,(H2,21,22,24,25)
InChIKeyOOJDUDDZROCMHB-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.90
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide

2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide (PubChem CID 60512943) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide
PubChem CID60512943
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide
SMILESCC(C)N(CC(=O)NC(=O)Nc1ccccc1)Cc1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O2/c1-14(2)23(12-15-7-6-8-16(20)11-15)13-18(24)22-19(25)21-17-9-4-3-5-10-17/h3-11,14H,12-13H2,1-2H3,(H2,21,22,24,25)
InChIKeyOOJDUDDZROCMHB-UHFFFAOYSA-N
XLogP3.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide
CID 55444967
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60512946
3-[(3-chlorophenyl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82327708
ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
CID 60775299
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 60512921
2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
CID 24582092
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide
CID 46573663
3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide
CID 33097961
methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate
CID 33097599
2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 60512989
1-[(1-benzylpyrrol-2-yl)methyl]-3-(3-chlorophenyl)-1-propan-2-ylurea
CID 42762830
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 60513164

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide (CID 60512943) is 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide is CC(C)N(CC(=O)NC(=O)Nc1ccccc1)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide?
The InChIKey is OOJDUDDZROCMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-14(2)23(12-15-7-6-8-16(20)11-15)13-18(24)22-19(25)21-17-9-4-3-5-10-17/h3-11,14H,12-13H2,1-2H3,(H2,21,22,24,25).
What are the key properties of 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide?
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide has a molecular weight of 359.86 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide is sourced from PubChem (CID 60512943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).