3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide

C21H25ClFNO3 — CID 18268789

IUPAC3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)NCCc2ccc(F)cc2)cc(Cl)c1OCCC(C)C
InChIInChI=1S/C21H25ClFNO3/c1-14(2)9-11-27-20-18(22)12-16(13-19(20)26-3)21(25)24-10-8-15-4-6-17(23)7-5-15/h4-7,12-14H,8-11H2,1-3H3,(H,24,25)
InChIKeyNIFGSQGHFNEKHC-UHFFFAOYSA-N
MW393.89 g/mol
LogP4.89
Rot. Bonds9

About 3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide

3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide (PubChem CID 18268789) has the molecular formula C21H25ClFNO3 and a molecular weight of 393.89 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide
PubChem CID18268789
Molecular FormulaC21H25ClFNO3
Molecular Weight393.89 g/mol
Exact Mass393.15
IUPAC Name3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)NCCc2ccc(F)cc2)cc(Cl)c1OCCC(C)C
InChIInChI=1S/C21H25ClFNO3/c1-14(2)9-11-27-20-18(22)12-16(13-19(20)26-3)21(25)24-10-8-15-4-6-17(23)7-5-15/h4-7,12-14H,8-11H2,1-3H3,(H,24,25)
InChIKeyNIFGSQGHFNEKHC-UHFFFAOYSA-N
XLogP4.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide 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

3-chloro-N-[2-(3-hydroxyphenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 52792141
N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112790971
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
3-chloro-N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 56562290
3-[[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249590
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 31288260
3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide
CID 7935341
3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 55333896
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16501403
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-chloro-5-methoxy-4-propoxybenzamide
CID 60587424
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide;hydrochloride
CID 120508088
N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112791004

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide?
The IUPAC name of 3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide (CID 18268789) is 3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for 3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide?
The canonical SMILES for 3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide is COc1cc(C(=O)NCCc2ccc(F)cc2)cc(Cl)c1OCCC(C)C.
What is the InChIKey of 3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide?
The InChIKey is NIFGSQGHFNEKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFNO3/c1-14(2)9-11-27-20-18(22)12-16(13-19(20)26-3)21(25)24-10-8-15-4-6-17(23)7-5-15/h4-7,12-14H,8-11H2,1-3H3,(H,24,25).
What are the key properties of 3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide?
3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide has a molecular weight of 393.89 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 18268789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).