4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide

C14H19ClN2O — CID 81388850

IUPAC4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N)c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H19ClN2O/c1-9(10-4-2-3-5-10)17-14(18)11-6-7-13(16)12(15)8-11/h6-10H,2-5,16H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyFTRPEBBHLKTECP-VIFPVBQESA-N
MW266.77 g/mol
LogP3.23
Rot. Bonds3

About 4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide

4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide (PubChem CID 81388850) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
PubChem CID81388850
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N)c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H19ClN2O/c1-9(10-4-2-3-5-10)17-14(18)11-6-7-13(16)12(15)8-11/h6-10H,2-5,16H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyFTRPEBBHLKTECP-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

3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392061
3-chloro-N-(1-cyclohexylethyl)-4-hydroxybenzamide
CID 62407060
4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide
CID 81389087
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105
4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392320
3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide
CID 103222229
3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide
CID 82780449
3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide
CID 42919481
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090
2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388670

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide?
The IUPAC name of 4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide (CID 81388850) is 4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide?
The canonical SMILES for 4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide is C[C@H](NC(=O)c1ccc(N)c(Cl)c1)C1CCCC1.
What is the InChIKey of 4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide?
The InChIKey is FTRPEBBHLKTECP-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9(10-4-2-3-5-10)17-14(18)11-6-7-13(16)12(15)8-11/h6-10H,2-5,16H2,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of 4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide?
4-amino-3-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 4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide is sourced from PubChem (CID 81388850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).