2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide

C15H22ClNO2 — CID 106509848

IUPAC2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide
SMILESCCCC(CCO)CNC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C15H22ClNO2/c1-3-4-12(7-8-18)10-17-15(19)13-6-5-11(2)9-14(13)16/h5-6,9,12,18H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyPRCKUVSHMOVGHX-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.18
Rot. Bonds7

About 2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide

2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide (PubChem CID 106509848) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide
PubChem CID106509848
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide
SMILESCCCC(CCO)CNC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C15H22ClNO2/c1-3-4-12(7-8-18)10-17-15(19)13-6-5-11(2)9-14(13)16/h5-6,9,12,18H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyPRCKUVSHMOVGHX-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide
CID 103722758
N-[2-(2-hydroxyethyl)pentyl]-2,5-dimethylbenzamide
CID 103725617
2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722702
2,5-dichloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103725481
2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid
CID 106860607
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-2-nitrobenzamide
CID 103725717
N-(2-aminopropyl)-2-chloro-4-methylbenzamide
CID 106862152
5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide
CID 103725574
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
2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide
CID 106117476

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide (CID 106509848) is 2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide is CCCC(CCO)CNC(=O)c1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide?
The InChIKey is PRCKUVSHMOVGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-3-4-12(7-8-18)10-17-15(19)13-6-5-11(2)9-14(13)16/h5-6,9,12,18H,3-4,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide?
2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide has a molecular weight of 283.80 g/mol, XLogP of 3.18, 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]-4-methylbenzamide is sourced from PubChem (CID 106509848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).