4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide

C12H16ClNO2 — CID 60948392

IUPAC4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
SMILESCCN(CCO)C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C12H16ClNO2/c1-2-14(7-8-15)12(16)11-5-3-10(9-13)4-6-11/h3-6,15H,2,7-9H2,1H3
InChIKeyNSFKIGHCSIRVRW-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.88
Rot. Bonds5

About 4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide

4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide (PubChem CID 60948392) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
PubChem CID60948392
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
SMILESCCN(CCO)C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C12H16ClNO2/c1-2-14(7-8-15)12(16)11-5-3-10(9-13)4-6-11/h3-6,15H,2,7-9H2,1H3
InChIKeyNSFKIGHCSIRVRW-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)carbamoyl]phenyl]methylsulfanylcarbothioylsulfanylmethyl]-N-(2-hydroxyethyl)benzamide
CID 101374122
N,4-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
N-ethyl-N-(2-hydroxyethyl)-4-methylsulfinylbenzamide
CID 78855550
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772047
4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide
CID 82960871
4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107397605
4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43168099
3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 103849938
N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide
CID 143150014
N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide
CID 61235842

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide (CID 60948392) is 4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide is CCN(CCO)C(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide?
The InChIKey is NSFKIGHCSIRVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-2-14(7-8-15)12(16)11-5-3-10(9-13)4-6-11/h3-6,15H,2,7-9H2,1H3.
What are the key properties of 4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide?
4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide has a molecular weight of 241.72 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 60948392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).