2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride

C13H18Cl2N2O — CID 119318615

IUPAC2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NC(c1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C13H17ClN2O.ClH/c14-11-6-4-10(5-7-11)13(9-2-1-3-9)16-12(17)8-15;/h4-7,9,13H,1-3,8,15H2,(H,16,17);1H
InChIKeyYXLJTFCKHVHYIF-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.68
Rot. Bonds4

About 2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride

2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride (PubChem CID 119318615) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
PubChem CID119318615
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NC(c1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C13H17ClN2O.ClH/c14-11-6-4-10(5-7-11)13(9-2-1-3-9)16-12(17)8-15;/h4-7,9,13H,1-3,8,15H2,(H,16,17);1H
InChIKeyYXLJTFCKHVHYIF-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride
CID 120591728
(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide
CID 119318612
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
(2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride
CID 119318563
N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119775158
2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
CID 119689371
N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide
CID 56827234
4-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]butanamide
CID 119318592
3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride
CID 120500453
1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71980792
N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 95288063
(2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide
CID 95342739

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride (CID 119318615) is 2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride is Cl.NCC(=O)NC(c1ccc(Cl)cc1)C1CCC1.
What is the InChIKey of 2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride?
The InChIKey is YXLJTFCKHVHYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O.ClH/c14-11-6-4-10(5-7-11)13(9-2-1-3-9)16-12(17)8-15;/h4-7,9,13H,1-3,8,15H2,(H,16,17);1H.
What are the key properties of 2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride?
2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride has a molecular weight of 289.21 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride is sourced from PubChem (CID 119318615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).