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

C14H20ClNO2 — CID 107157339

IUPACN-(2-chloro-4-methylpentyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(Cl)CC(C)C)cc1
InChIInChI=1S/C14H20ClNO2/c1-10(2)8-12(15)9-16-14(17)11-4-6-13(18-3)7-5-11/h4-7,10,12H,8-9H2,1-3H3,(H,16,17)
InChIKeyRPTJPFVRTPHUSN-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.08
Rot. Bonds6

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

N-(2-chloro-4-methylpentyl)-4-methoxybenzamide (PubChem CID 107157339) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-(2-chloro-4-methylpentyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylpentyl)-4-methoxybenzamide
PubChem CID107157339
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-(2-chloro-4-methylpentyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(Cl)CC(C)C)cc1
InChIInChI=1S/C14H20ClNO2/c1-10(2)8-12(15)9-16-14(17)11-4-6-13(18-3)7-5-11/h4-7,10,12H,8-9H2,1-3H3,(H,16,17)
InChIKeyRPTJPFVRTPHUSN-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
CID 107157421
N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 107157225
N-(2-chloro-2-phenylethyl)-4-methoxybenzamide
CID 114296068
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide
CID 107260916
methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate
CID 3376404
methyl (3R)-3-amino-4-[(4-methoxybenzoyl)amino]butanoate
CID 70338276
N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide
CID 106117686
4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298950
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide
CID 71994221
3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid
CID 81066104
2-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 16916267

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylpentyl)-4-methoxybenzamide?
The IUPAC name of N-(2-chloro-4-methylpentyl)-4-methoxybenzamide (CID 107157339) is N-(2-chloro-4-methylpentyl)-4-methoxybenzamide.
What is the SMILES notation for N-(2-chloro-4-methylpentyl)-4-methoxybenzamide?
The canonical SMILES for N-(2-chloro-4-methylpentyl)-4-methoxybenzamide is COc1ccc(C(=O)NCC(Cl)CC(C)C)cc1.
What is the InChIKey of N-(2-chloro-4-methylpentyl)-4-methoxybenzamide?
The InChIKey is RPTJPFVRTPHUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(2)8-12(15)9-16-14(17)11-4-6-13(18-3)7-5-11/h4-7,10,12H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-(2-chloro-4-methylpentyl)-4-methoxybenzamide?
N-(2-chloro-4-methylpentyl)-4-methoxybenzamide has a molecular weight of 269.77 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylpentyl)-4-methoxybenzamide is sourced from PubChem (CID 107157339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).