4-(chloromethyl)-N,N-di(propan-2-yl)benzamide

C14H20ClNO — CID 98000579

IUPAC4-(chloromethyl)-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(CCl)cc1)C(C)C
InChIInChI=1S/C14H20ClNO/c1-10(2)16(11(3)4)14(17)13-7-5-12(9-15)6-8-13/h5-8,10-11H,9H2,1-4H3
InChIKeyIWHDTZURUKJHFU-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.68
Rot. Bonds4

About 4-(chloromethyl)-N,N-di(propan-2-yl)benzamide

4-(chloromethyl)-N,N-di(propan-2-yl)benzamide (PubChem CID 98000579) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-(chloromethyl)-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N,N-di(propan-2-yl)benzamide
PubChem CID98000579
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-(chloromethyl)-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(CCl)cc1)C(C)C
InChIInChI=1S/C14H20ClNO/c1-10(2)16(11(3)4)14(17)13-7-5-12(9-15)6-8-13/h5-8,10-11H,9H2,1-4H3
InChIKeyIWHDTZURUKJHFU-UHFFFAOYSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.68
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-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]-N,N-di(propan-2-yl)benzamide
CID 57341782
4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide
CID 43269463
4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 54875046
[4-[di(propan-2-yl)carbamoyl]phenyl]methyl-triphenylphosphanium bromide
CID 10393031
benzyl 4-[di(propan-2-yl)carbamoyl]benzoate
CID 870695
1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide
CID 793999
[4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone
CID 71442703
4-(chloromethyl)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 60949375
4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60948899
4-chloro-N-[4-[4-(chloromethyl)phenyl]cyclohexyl]-N-propan-2-ylbenzamide
CID 19381397
4-(chloromethyl)-N-(2,2-dimethoxyethyl)-N-methylbenzamide
CID 169090050
4-(propanoylamino)-N,N-di(propan-2-yl)benzamide
CID 110178310

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-(chloromethyl)-N,N-di(propan-2-yl)benzamide (CID 98000579) is 4-(chloromethyl)-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccc(CCl)cc1)C(C)C.
What is the InChIKey of 4-(chloromethyl)-N,N-di(propan-2-yl)benzamide?
The InChIKey is IWHDTZURUKJHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(2)16(11(3)4)14(17)13-7-5-12(9-15)6-8-13/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 4-(chloromethyl)-N,N-di(propan-2-yl)benzamide?
4-(chloromethyl)-N,N-di(propan-2-yl)benzamide has a molecular weight of 253.77 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 98000579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).