4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide

C16H22ClNO — CID 54875046

IUPAC4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C(=O)c1ccc(CCl)cc1)C1CC1
InChIInChI=1S/C16H22ClNO/c1-12(2)9-10-18(15-7-8-15)16(19)14-5-3-13(11-17)4-6-14/h3-6,12,15H,7-11H2,1-2H3
InChIKeyMUROGSWHTJQBKZ-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.08
Rot. Bonds6

About 4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide

4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide (PubChem CID 54875046) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
PubChem CID54875046
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C(=O)c1ccc(CCl)cc1)C1CC1
InChIInChI=1S/C16H22ClNO/c1-12(2)9-10-18(15-7-8-15)16(19)14-5-3-13(11-17)4-6-14/h3-6,12,15H,7-11H2,1-2H3
InChIKeyMUROGSWHTJQBKZ-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 102851269
4-carbamothioyl-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 78974487
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 60782353
N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide
CID 78974536
3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide
CID 54906107
N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide
CID 104627610
4-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119292306
5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60733156
4-(chloromethyl)-N,N-di(propan-2-yl)benzamide
CID 98000579
4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide
CID 60949844
N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide
CID 78925719
N-cyclopropyl-2,6-dihydroxy-N-(3-methylbutyl)benzamide
CID 107689256

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide (CID 54875046) is 4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide is CC(C)CCN(C(=O)c1ccc(CCl)cc1)C1CC1.
What is the InChIKey of 4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide?
The InChIKey is MUROGSWHTJQBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-12(2)9-10-18(15-7-8-15)16(19)14-5-3-13(11-17)4-6-14/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide?
4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide has a molecular weight of 279.81 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 54875046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).