2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide

C12H16ClNO2 — CID 115771499

IUPAC2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
SMILESCCN(CCCO)C(=O)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-2-14(8-5-9-15)12(16)10-6-3-4-7-11(10)13/h3-4,6-7,15H,2,5,8-9H2,1H3
InChIKeyKFFNWWXYBDXBEY-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.18
Rot. Bonds5

About 2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide

2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide (PubChem CID 115771499) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
PubChem CID115771499
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
SMILESCCN(CCCO)C(=O)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-2-14(8-5-9-15)12(16)10-6-3-4-7-11(10)13/h3-4,6-7,15H,2,5,8-9H2,1H3
InChIKeyKFFNWWXYBDXBEY-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2-chloro-N-ethylbenzamide
CID 2164666
2-[ethyl(3-hydroxypropyl)carbamoyl]benzoic acid
CID 50877579
N-(2-bromoethyl)-2-chloro-N-ethylbenzamide
CID 80660841
2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772103
2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-methylsulfanylbenzamide
CID 113339473
N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide
CID 107689617
2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide
CID 102990923
N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide
CID 115771813
2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60662044
2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395049
2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide
CID 113468548
1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide
CID 106772800

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide (CID 115771499) is 2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide is CCN(CCCO)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide?
The InChIKey is KFFNWWXYBDXBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-2-14(8-5-9-15)12(16)10-6-3-4-7-11(10)13/h3-4,6-7,15H,2,5,8-9H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide?
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide has a molecular weight of 241.72 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 115771499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).