2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide

C19H21ClFNO3 — CID 26878655

IUPAC2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1OCCC
InChIInChI=1S/C19H21ClFNO3/c1-3-9-24-17-8-6-14(12-18(17)25-10-4-2)22-19(23)15-7-5-13(21)11-16(15)20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,23)
InChIKeyBTDAHLLSVKBKIC-UHFFFAOYSA-N
MW365.83 g/mol
LogP5.31
Rot. Bonds8

About 2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide

2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide (PubChem CID 26878655) has the molecular formula C19H21ClFNO3 and a molecular weight of 365.83 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide
PubChem CID26878655
Molecular FormulaC19H21ClFNO3
Molecular Weight365.83 g/mol
Exact Mass365.12
IUPAC Name2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1OCCC
InChIInChI=1S/C19H21ClFNO3/c1-3-9-24-17-8-6-14(12-18(17)25-10-4-2)22-19(23)15-7-5-13(21)11-16(15)20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,23)
InChIKeyBTDAHLLSVKBKIC-UHFFFAOYSA-N
XLogP5.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.83
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide
CID 26212713
N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621941
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
2-chloro-N-(3,4-diethoxyphenyl)-4,5-difluorobenzamide
CID 2569815
1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea
CID 2554098
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide
CID 43007187
2,4-difluoro-N-(4-propoxyphenyl)benzamide
CID 17178087
2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37259546
methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
CID 7924147

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide (CID 26878655) is 2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide is CCCOc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1OCCC.
What is the InChIKey of 2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide?
The InChIKey is BTDAHLLSVKBKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO3/c1-3-9-24-17-8-6-14(12-18(17)25-10-4-2)22-19(23)15-7-5-13(21)11-16(15)20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,23).
What are the key properties of 2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide?
2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide has a molecular weight of 365.83 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide is sourced from PubChem (CID 26878655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).