4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide

C12H14ClF2NO2 — CID 82771632

IUPAC4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H14ClF2NO2/c1-2-3-16(4-5-17)12(18)8-6-11(15)9(13)7-10(8)14/h6-7,17H,2-5H2,1H3
InChIKeyLPHWNWCXGKQOCW-UHFFFAOYSA-N
MW277.70 g/mol
LogP2.46
Rot. Bonds5

About 4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide

4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide (PubChem CID 82771632) has the molecular formula C12H14ClF2NO2 and a molecular weight of 277.70 g/mol. Its IUPAC name is 4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide
PubChem CID82771632
Molecular FormulaC12H14ClF2NO2
Molecular Weight277.70 g/mol
Exact Mass277.07
IUPAC Name4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H14ClF2NO2/c1-2-3-16(4-5-17)12(18)8-6-11(15)9(13)7-10(8)14/h6-7,17H,2-5H2,1H3
InChIKeyLPHWNWCXGKQOCW-UHFFFAOYSA-N
XLogP2.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,5-difluoro-N-(2-hydroxyethyl)-4-nitro-N-propylbenzamide
CID 115776617
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 61425303
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655751
4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 82772197
5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 61145588
2-[(2-chloro-4,5-difluorobenzoyl)-propylamino]acetic acid
CID 61007189
5-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655961
2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103857427
2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 107483219
4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60967608
5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 110903029
N-(2-bromoethyl)-5-chloro-2-fluoro-N-propylbenzamide
CID 80665950

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide?
The IUPAC name of 4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide (CID 82771632) is 4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide.
What is the SMILES notation for 4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide?
The canonical SMILES for 4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide is CCCN(CCO)C(=O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide?
The InChIKey is LPHWNWCXGKQOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO2/c1-2-3-16(4-5-17)12(18)8-6-11(15)9(13)7-10(8)14/h6-7,17H,2-5H2,1H3.
What are the key properties of 4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide?
4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide has a molecular weight of 277.70 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide is sourced from PubChem (CID 82771632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).