N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide

C16H20ClNO — CID 63683122

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide
SMILESO=C(NCC1CC2CCC1C2)c1ccc(CCl)cc1
InChIInChI=1S/C16H20ClNO/c17-9-11-1-4-13(5-2-11)16(19)18-10-15-8-12-3-6-14(15)7-12/h1-2,4-5,12,14-15H,3,6-10H2,(H,18,19)
InChIKeyGYGSTEZUDJGHCE-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.59
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide (PubChem CID 63683122) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide
PubChem CID63683122
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide
SMILESO=C(NCC1CC2CCC1C2)c1ccc(CCl)cc1
InChIInChI=1S/C16H20ClNO/c17-9-11-1-4-13(5-2-11)16(19)18-10-15-8-12-3-6-14(15)7-12/h1-2,4-5,12,14-15H,3,6-10H2,(H,18,19)
InChIKeyGYGSTEZUDJGHCE-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide
CID 98155306
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(N'-hydroxycarbamimidoyl)benzamide
CID 77017130
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-hydroxy-3-methylbenzamide
CID 103956855
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-triethoxybenzamide
CID 60618253
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide
CID 104782928
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide
CID 62613246
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 98755984
4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137648
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-[4-[[4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 98153955
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide
CID 98153739
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydroxybenzamide
CID 55232835
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide
CID 63687178

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide (CID 63683122) is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide is O=C(NCC1CC2CCC1C2)c1ccc(CCl)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide?
The InChIKey is GYGSTEZUDJGHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c17-9-11-1-4-13(5-2-11)16(19)18-10-15-8-12-3-6-14(15)7-12/h1-2,4-5,12,14-15H,3,6-10H2,(H,18,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide has a molecular weight of 277.80 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide is sourced from PubChem (CID 63683122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).