2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide

C15H22ClNO2 — CID 142077202

IUPAC2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide
SMILESCC(C)CCNC(=O)c1ccc(OC(C)C)cc1Cl
InChIInChI=1S/C15H22ClNO2/c1-10(2)7-8-17-15(18)13-6-5-12(9-14(13)16)19-11(3)4/h5-6,9-11H,7-8H2,1-4H3,(H,17,18)
InChIKeyWIIHDNMWXUBXIR-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.90
Rot. Bonds6

About 2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide

2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide (PubChem CID 142077202) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide
PubChem CID142077202
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide
SMILESCC(C)CCNC(=O)c1ccc(OC(C)C)cc1Cl
InChIInChI=1S/C15H22ClNO2/c1-10(2)7-8-17-15(18)13-6-5-12(9-14(13)16)19-11(3)4/h5-6,9-11H,7-8H2,1-4H3,(H,17,18)
InChIKeyWIIHDNMWXUBXIR-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(3-methylbutyl)benzamide
CID 669760
2-chloro-N-(3-methylbutyl)-4-nitrobenzamide
CID 874406
2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide
CID 100521910
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
2,4-dichloro-N-(4-methylpentyl)benzamide
CID 3288141
ethyl 2-chloro-4-propan-2-yloxybenzoate
CID 82551782
N-(3-aminobutyl)-2-chloro-4-iodobenzamide
CID 119496465
N-(3-aminobutyl)-2-chloro-4-fluorobenzamide
CID 63254096
4-chloro-3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65368010
2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 110763480
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
2,4-dichloro-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
CID 4952081

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide?
The IUPAC name of 2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide (CID 142077202) is 2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for 2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for 2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide is CC(C)CCNC(=O)c1ccc(OC(C)C)cc1Cl.
What is the InChIKey of 2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide?
The InChIKey is WIIHDNMWXUBXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-10(2)7-8-17-15(18)13-6-5-12(9-14(13)16)19-11(3)4/h5-6,9-11H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide?
2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide has a molecular weight of 283.80 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 142077202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).