N-(1-chlorobutan-2-yl)-4-methoxybenzamide

C12H16ClNO2 — CID 114294761

IUPACN-(1-chlorobutan-2-yl)-4-methoxybenzamide
SMILESCCC(CCl)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H16ClNO2/c1-3-10(8-13)14-12(15)9-4-6-11(16-2)7-5-9/h4-7,10H,3,8H2,1-2H3,(H,14,15)
InChIKeyMEUSSSZSWUBDLC-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.44
Rot. Bonds5

About N-(1-chlorobutan-2-yl)-4-methoxybenzamide

N-(1-chlorobutan-2-yl)-4-methoxybenzamide (PubChem CID 114294761) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(1-chlorobutan-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-chlorobutan-2-yl)-4-methoxybenzamide
PubChem CID114294761
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-(1-chlorobutan-2-yl)-4-methoxybenzamide
SMILESCCC(CCl)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H16ClNO2/c1-3-10(8-13)14-12(15)9-4-6-11(16-2)7-5-9/h4-7,10H,3,8H2,1-2H3,(H,14,15)
InChIKeyMEUSSSZSWUBDLC-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.44
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

4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide
CID 114078956
N-(1-chlorobutan-2-yl)-3,4-difluorobenzamide
CID 114294264
methyl (3S)-4-iodo-3-[(4-methoxybenzoyl)amino]butanoate
CID 25139376
3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide
CID 103212326
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383
4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide
CID 51602914
N-(1-bromobutan-2-yl)-4-ethoxybenzamide
CID 114307651
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
7-methoxy-N-pentan-3-ylquinoline-3-carboxamide
CID 129276017
N-(1-hydroxybutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 110466125
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorobutan-2-yl)-4-methoxybenzamide?
The IUPAC name of N-(1-chlorobutan-2-yl)-4-methoxybenzamide (CID 114294761) is N-(1-chlorobutan-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(1-chlorobutan-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(1-chlorobutan-2-yl)-4-methoxybenzamide is CCC(CCl)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(1-chlorobutan-2-yl)-4-methoxybenzamide?
The InChIKey is MEUSSSZSWUBDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-3-10(8-13)14-12(15)9-4-6-11(16-2)7-5-9/h4-7,10H,3,8H2,1-2H3,(H,14,15).
What are the key properties of N-(1-chlorobutan-2-yl)-4-methoxybenzamide?
N-(1-chlorobutan-2-yl)-4-methoxybenzamide has a molecular weight of 241.72 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorobutan-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 114294761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).