N-(4-chloro-2-ethylbutyl)-2-methylbenzamide

C14H20ClNO — CID 114306329

IUPACN-(4-chloro-2-ethylbutyl)-2-methylbenzamide
SMILESCCC(CCCl)CNC(=O)c1ccccc1C
InChIInChI=1S/C14H20ClNO/c1-3-12(8-9-15)10-16-14(17)13-7-5-4-6-11(13)2/h4-7,12H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyIPQRLGZONRJCKH-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.38
Rot. Bonds6

About N-(4-chloro-2-ethylbutyl)-2-methylbenzamide

N-(4-chloro-2-ethylbutyl)-2-methylbenzamide (PubChem CID 114306329) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-(4-chloro-2-ethylbutyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-ethylbutyl)-2-methylbenzamide
PubChem CID114306329
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-(4-chloro-2-ethylbutyl)-2-methylbenzamide
SMILESCCC(CCCl)CNC(=O)c1ccccc1C
InChIInChI=1S/C14H20ClNO/c1-3-12(8-9-15)10-16-14(17)13-7-5-4-6-11(13)2/h4-7,12H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyIPQRLGZONRJCKH-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-chloro-2-ethylbutyl)-3-methylbenzamide
CID 107983971
N-(4-chloro-2-ethylbutyl)-2,3-dihydroxybenzamide
CID 114345290
3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065631
N-(4-chloro-2-ethylbutyl)-2-ethoxybenzamide
CID 114306598
2-[[(2-methylbenzoyl)amino]methyl]butanoic acid
CID 65220541
N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide
CID 106117548
2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 113273748
N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide
CID 106117621
N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 114306557
4-chloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 114306518
N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613562
N-(4-chloro-2-ethylbutyl)-2-(2-chlorophenyl)acetamide
CID 114306400

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-ethylbutyl)-2-methylbenzamide?
The IUPAC name of N-(4-chloro-2-ethylbutyl)-2-methylbenzamide (CID 114306329) is N-(4-chloro-2-ethylbutyl)-2-methylbenzamide.
What is the SMILES notation for N-(4-chloro-2-ethylbutyl)-2-methylbenzamide?
The canonical SMILES for N-(4-chloro-2-ethylbutyl)-2-methylbenzamide is CCC(CCCl)CNC(=O)c1ccccc1C.
What is the InChIKey of N-(4-chloro-2-ethylbutyl)-2-methylbenzamide?
The InChIKey is IPQRLGZONRJCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-12(8-9-15)10-16-14(17)13-7-5-4-6-11(13)2/h4-7,12H,3,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-(4-chloro-2-ethylbutyl)-2-methylbenzamide?
N-(4-chloro-2-ethylbutyl)-2-methylbenzamide has a molecular weight of 253.77 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-ethylbutyl)-2-methylbenzamide is sourced from PubChem (CID 114306329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).