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

C17H22ClNO2 — CID 134126273

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N(CCO)CC1CC2CCC1C2
InChIInChI=1S/C17H22ClNO2/c18-16-5-3-13(4-6-16)17(21)19(7-8-20)11-15-10-12-1-2-14(15)9-12/h3-6,12,14-15,20H,1-2,7-11H2
InChIKeyPFSJWVUIVYIPTH-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.21
Rot. Bonds5

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

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-N-(2-hydroxyethyl)benzamide (PubChem CID 134126273) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-N-(2-hydroxyethyl)benzamide
PubChem CID134126273
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N(CCO)CC1CC2CCC1C2
InChIInChI=1S/C17H22ClNO2/c18-16-5-3-13(4-6-16)17(21)19(7-8-20)11-15-10-12-1-2-14(15)9-12/h3-6,12,14-15,20H,1-2,7-11H2
InChIKeyPFSJWVUIVYIPTH-UHFFFAOYSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylmethyl)-2-(4-chlorophenyl)propane-1,3-diol
CID 79550111
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 63688861
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728501
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(2-chlorophenyl)propan-1-one
CID 63681519
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide
CID 63682271
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide
CID 66464343
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 9258804
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 63682994
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide
CID 62613246
1-[[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-3-[2-(4-chlorophenyl)ethyl]thiourea
CID 11946482
6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63686486
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydroxybenzamide
CID 55232835

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-N-(2-hydroxyethyl)benzamide (CID 134126273) is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-N-(2-hydroxyethyl)benzamide is O=C(c1ccc(Cl)cc1)N(CCO)CC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-N-(2-hydroxyethyl)benzamide?
The InChIKey is PFSJWVUIVYIPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c18-16-5-3-13(4-6-16)17(21)19(7-8-20)11-15-10-12-1-2-14(15)9-12/h3-6,12,14-15,20H,1-2,7-11H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-N-(2-hydroxyethyl)benzamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-N-(2-hydroxyethyl)benzamide has a molecular weight of 307.82 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 134126273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).