2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide

C14H20ClNO2 — CID 103722702

IUPAC2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
SMILESCCCC(CCO)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-2-5-11(8-9-17)10-16-14(18)12-6-3-4-7-13(12)15/h3-4,6-7,11,17H,2,5,8-10H2,1H3,(H,16,18)
InChIKeyBOCMWFFMYUCZBO-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.87
Rot. Bonds7

About 2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide

2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide (PubChem CID 103722702) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
PubChem CID103722702
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
SMILESCCCC(CCO)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-2-5-11(8-9-17)10-16-14(18)12-6-3-4-7-13(12)15/h3-4,6-7,11,17H,2,5,8-10H2,1H3,(H,16,18)
InChIKeyBOCMWFFMYUCZBO-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662482
2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide
CID 106509848
2,5-dichloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103725481
2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725645
N-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide
CID 103725734
2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide
CID 95787801
1-[1-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111503966
N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide
CID 106117548
4-chloro-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 103722901
5-chloro-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 103722628
2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzamide
CID 111697393
N-[2-(2-hydroxyethyl)pentyl]-2,5-dimethylbenzamide
CID 103725617

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide (CID 103722702) is 2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide is CCCC(CCO)CNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide?
The InChIKey is BOCMWFFMYUCZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-2-5-11(8-9-17)10-16-14(18)12-6-3-4-7-13(12)15/h3-4,6-7,11,17H,2,5,8-10H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide?
2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide has a molecular weight of 269.77 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide is sourced from PubChem (CID 103722702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).