5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide

C14H21ClN2O — CID 112517469

IUPAC5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide
SMILESCCC(CCCN)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C14H21ClN2O/c1-3-11(6-5-9-16)14(18)17-13-8-4-7-12(15)10(13)2/h4,7-8,11H,3,5-6,9,16H2,1-2H3,(H,17,18)
InChIKeyBYLCQZXKBFDPHO-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.35
Rot. Bonds6

About 5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide

5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide (PubChem CID 112517469) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide.

Molecular Properties

Compound Name5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide
PubChem CID112517469
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide
SMILESCCC(CCCN)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C14H21ClN2O/c1-3-11(6-5-9-16)14(18)17-13-8-4-7-12(15)10(13)2/h4,7-8,11H,3,5-6,9,16H2,1-2H3,(H,17,18)
InChIKeyBYLCQZXKBFDPHO-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide
CID 107470943
2-[[(3-chloro-2-methylphenyl)carbamoylamino]methyl]butanoic acid
CID 65219270
5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide
CID 112517472
6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide
CID 76892391
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
4-(aminomethyl)-N-(3-chloro-2-methylphenyl)hexanamide
CID 112517479
2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide
CID 65230250
5-amino-N-(3-aminophenyl)-2-ethylpentanamide
CID 164939498
4-amino-2-ethyl-N-(2-ethylphenyl)butanamide
CID 112515504
3-(2-ethylbutanoylamino)-2-methylbenzoic acid
CID 6458658

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide?
The IUPAC name of 5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide (CID 112517469) is 5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide.
What is the SMILES notation for 5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide?
The canonical SMILES for 5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide is CCC(CCCN)C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of 5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide?
The InChIKey is BYLCQZXKBFDPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-11(6-5-9-16)14(18)17-13-8-4-7-12(15)10(13)2/h4,7-8,11H,3,5-6,9,16H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide?
5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide has a molecular weight of 268.79 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide is sourced from PubChem (CID 112517469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).