2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide

C14H19ClN2O — CID 81388670

IUPAC2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1N)C1CCCC1
InChIInChI=1S/C14H19ClN2O/c1-9(10-4-2-3-5-10)17-14(18)12-7-6-11(15)8-13(12)16/h6-10H,2-5,16H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyFYOYAAPPPJZFKN-VIFPVBQESA-N
MW266.77 g/mol
LogP3.23
Rot. Bonds3

About 2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide

2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide (PubChem CID 81388670) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
PubChem CID81388670
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1N)C1CCCC1
InChIInChI=1S/C14H19ClN2O/c1-9(10-4-2-3-5-10)17-14(18)12-7-6-11(15)8-13(12)16/h6-10H,2-5,16H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyFYOYAAPPPJZFKN-VIFPVBQESA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide
CID 62405432
4-amino-N-[(1R)-1-cyclohexylethyl]-2-fluorobenzamide
CID 94431767
5-chloro-N-(1-cyclopropylethyl)-2-hydroxybenzamide
CID 43401499
2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide
CID 81388369
4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388850
3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392061
6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide
CID 103543073
2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide
CID 28690168
4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide
CID 81389087
2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide
CID 115413669
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61471794
4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide
CID 107207952

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide?
The IUPAC name of 2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide (CID 81388670) is 2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide?
The canonical SMILES for 2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide is C[C@H](NC(=O)c1ccc(Cl)cc1N)C1CCCC1.
What is the InChIKey of 2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide?
The InChIKey is FYOYAAPPPJZFKN-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9(10-4-2-3-5-10)17-14(18)12-7-6-11(15)8-13(12)16/h6-10H,2-5,16H2,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of 2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide?
2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide has a molecular weight of 266.77 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide is sourced from PubChem (CID 81388670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).