3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide

C16H23ClN2O — CID 81392061

IUPAC3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)c(N)c1)C1CCCCCC1
InChIInChI=1S/C16H23ClN2O/c1-11(12-6-4-2-3-5-7-12)19-16(20)13-8-9-14(17)15(18)10-13/h8-12H,2-7,18H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyGMEQUYTUMZJJIJ-LLVKDONJSA-N
MW294.83 g/mol
LogP4.01
Rot. Bonds3

About 3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide

3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide (PubChem CID 81392061) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
PubChem CID81392061
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)c(N)c1)C1CCCCCC1
InChIInChI=1S/C16H23ClN2O/c1-11(12-6-4-2-3-5-7-12)19-16(20)13-8-9-14(17)15(18)10-13/h8-12H,2-7,18H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyGMEQUYTUMZJJIJ-LLVKDONJSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.01
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-(1-cyclopropylethyl)benzamide
CID 43533105
4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388850
2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid
CID 61159785
3-chloro-N-(1-cyclohexylethyl)-4-hydroxybenzamide
CID 62407060
4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392320
4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide
CID 81389087
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide
CID 103222229
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide
CID 82780449

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide?
The IUPAC name of 3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide (CID 81392061) is 3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide?
The canonical SMILES for 3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide is C[C@@H](NC(=O)c1ccc(Cl)c(N)c1)C1CCCCCC1.
What is the InChIKey of 3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide?
The InChIKey is GMEQUYTUMZJJIJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11(12-6-4-2-3-5-7-12)19-16(20)13-8-9-14(17)15(18)10-13/h8-12H,2-7,18H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide?
3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide has a molecular weight of 294.83 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide is sourced from PubChem (CID 81392061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).