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

C14H20ClNO — CID 107157210

IUPACN-(2-chloro-4-methylpentyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(Cl)CC(C)C
InChIInChI=1S/C14H20ClNO/c1-10(2)8-12(15)9-16-14(17)13-7-5-4-6-11(13)3/h4-7,10,12H,8-9H2,1-3H3,(H,16,17)
InChIKeyPGQCONTXOIUWRU-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.38
Rot. Bonds5

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

N-(2-chloro-4-methylpentyl)-2-methylbenzamide (PubChem CID 107157210) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-(2-chloro-4-methylpentyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylpentyl)-2-methylbenzamide
PubChem CID107157210
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-(2-chloro-4-methylpentyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(Cl)CC(C)C
InChIInChI=1S/C14H20ClNO/c1-10(2)8-12(15)9-16-14(17)13-7-5-4-6-11(13)3/h4-7,10,12H,8-9H2,1-3H3,(H,16,17)
InChIKeyPGQCONTXOIUWRU-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 107157383
N-(2-chloro-4-methylpentyl)-3-methylpyridine-2-carboxamide
CID 107157408
N-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide
CID 107157185
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide
CID 108574801
N-(4-amino-2-methylbutyl)-2-methylbenzamide
CID 66089966
N-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide
CID 107157522
N-[(2S)-2,3-diamino-3-oxopropyl]-2-methylbenzamide
CID 58987558
N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
2-[[(2-methylbenzoyl)amino]methyl]butanoic acid
CID 65220541
2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid
CID 107151224
N-(2-bromo-2-phenylethyl)-2-methylbenzamide
CID 114308218

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylpentyl)-2-methylbenzamide?
The IUPAC name of N-(2-chloro-4-methylpentyl)-2-methylbenzamide (CID 107157210) is N-(2-chloro-4-methylpentyl)-2-methylbenzamide.
What is the SMILES notation for N-(2-chloro-4-methylpentyl)-2-methylbenzamide?
The canonical SMILES for N-(2-chloro-4-methylpentyl)-2-methylbenzamide is Cc1ccccc1C(=O)NCC(Cl)CC(C)C.
What is the InChIKey of N-(2-chloro-4-methylpentyl)-2-methylbenzamide?
The InChIKey is PGQCONTXOIUWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(2)8-12(15)9-16-14(17)13-7-5-4-6-11(13)3/h4-7,10,12H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-(2-chloro-4-methylpentyl)-2-methylbenzamide?
N-(2-chloro-4-methylpentyl)-2-methylbenzamide has a molecular weight of 253.77 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylpentyl)-2-methylbenzamide is sourced from PubChem (CID 107157210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).