N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide

C18H21ClN2O — CID 33161990

IUPACN-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide
SMILESCC(C)c1ccccc1NCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O/c1-13(2)15-8-4-6-10-17(15)20-12-18(22)21-11-14-7-3-5-9-16(14)19/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyDSOKMJGHNFPUKA-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.19
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide

N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide (PubChem CID 33161990) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide
PubChem CID33161990
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide
SMILESCC(C)c1ccccc1NCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O/c1-13(2)15-8-4-6-10-17(15)20-12-18(22)21-11-14-7-3-5-9-16(14)19/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyDSOKMJGHNFPUKA-UHFFFAOYSA-N
XLogP4.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide
CID 26416416
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 9306793
N-(2-methylpropyl)-2-(2-propan-2-ylanilino)acetamide
CID 28573972
N-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide
CID 60685501
2-(4-chloroanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 26417208
3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17179057
N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684123
N-pentyl-2-(2-propan-2-ylanilino)acetamide
CID 109006037
N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
CID 108998040
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296
N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263929

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide (CID 33161990) is N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide is CC(C)c1ccccc1NCC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide?
The InChIKey is DSOKMJGHNFPUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-13(2)15-8-4-6-10-17(15)20-12-18(22)21-11-14-7-3-5-9-16(14)19/h3-10,13,20H,11-12H2,1-2H3,(H,21,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide?
N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide has a molecular weight of 316.83 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide is sourced from PubChem (CID 33161990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).