2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide

C14H17ClN2O2 — CID 113162681

IUPAC2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide
SMILESCC(=O)N(CC(=O)NC1CC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c1-10(18)17(9-14(19)16-13-6-7-13)8-11-2-4-12(15)5-3-11/h2-5,13H,6-9H2,1H3,(H,16,19)
InChIKeyNNFNLIDBZJFSPC-UHFFFAOYSA-N
MW280.75 g/mol
LogP1.97
Rot. Bonds5

About 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide

2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide (PubChem CID 113162681) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide
PubChem CID113162681
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide
SMILESCC(=O)N(CC(=O)NC1CC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c1-10(18)17(9-14(19)16-13-6-7-13)8-11-2-4-12(15)5-3-11/h2-5,13H,6-9H2,1H3,(H,16,19)
InChIKeyNNFNLIDBZJFSPC-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 113162786
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 113162680
N,N-bis[(4-chlorophenyl)methyl]acetamide
CID 22660922
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide
CID 113162520
N-[(4-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467680
2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113163778
3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide
CID 113120535
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide
CID 113162771
N-cyclopropyl-2-[[2-(2,4-dichlorophenyl)-2-oxoethyl]-methylamino]acetamide
CID 60681736
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162766
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113162790
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113162820

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide (CID 113162681) is 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide is CC(=O)N(CC(=O)NC1CC1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide?
The InChIKey is NNFNLIDBZJFSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-10(18)17(9-14(19)16-13-6-7-13)8-11-2-4-12(15)5-3-11/h2-5,13H,6-9H2,1H3,(H,16,19).
What are the key properties of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide?
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide has a molecular weight of 280.75 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide is sourced from PubChem (CID 113162681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).