2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide

C14H21ClN2O — CID 63843254

IUPAC2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide
SMILESCCC(CC)C(C)NC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C14H21ClN2O/c1-4-10(5-2)9(3)17-14(18)12-8-11(15)6-7-13(12)16/h6-10H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyGPGOBBMRAIVUBV-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.48
Rot. Bonds5

About 2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide

2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide (PubChem CID 63843254) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide
PubChem CID63843254
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide
SMILESCCC(CC)C(C)NC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C14H21ClN2O/c1-4-10(5-2)9(3)17-14(18)12-8-11(15)6-7-13(12)16/h6-10H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyGPGOBBMRAIVUBV-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.48
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

2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 166304512
2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid
CID 174472101
2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93081140
5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide
CID 63843251
2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide
CID 64602381
N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide
CID 55260574
2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide
CID 103764241
3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide
CID 63843419
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7471728
2-amino-5-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103459946
2-amino-5-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 6481533

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide?
The IUPAC name of 2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide (CID 63843254) is 2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide?
The canonical SMILES for 2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide is CCC(CC)C(C)NC(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide?
The InChIKey is GPGOBBMRAIVUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-10(5-2)9(3)17-14(18)12-8-11(15)6-7-13(12)16/h6-10H,4-5,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide?
2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide has a molecular weight of 268.79 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide is sourced from PubChem (CID 63843254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).