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

C21H26ClNO4 — CID 52792141

IUPAC3-chloro-N-[2-(3-hydroxyphenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)NCCc2cccc(O)c2)cc(Cl)c1OCCC(C)C
InChIInChI=1S/C21H26ClNO4/c1-14(2)8-10-27-20-18(22)12-16(13-19(20)26-3)21(25)23-9-7-15-5-4-6-17(24)11-15/h4-6,11-14,24H,7-10H2,1-3H3,(H,23,25)
InChIKeyJTDGRCVNQXYJII-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.45
Rot. Bonds9

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

3-chloro-N-[2-(3-hydroxyphenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide (PubChem CID 52792141) has the molecular formula C21H26ClNO4 and a molecular weight of 391.90 g/mol. Its IUPAC name is 3-chloro-N-[2-(3-hydroxyphenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3-hydroxyphenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide
PubChem CID52792141
Molecular FormulaC21H26ClNO4
Molecular Weight391.90 g/mol
Exact Mass391.16
IUPAC Name3-chloro-N-[2-(3-hydroxyphenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)NCCc2cccc(O)c2)cc(Cl)c1OCCC(C)C
InChIInChI=1S/C21H26ClNO4/c1-14(2)8-10-27-20-18(22)12-16(13-19(20)26-3)21(25)23-9-7-15-5-4-6-17(24)11-15/h4-6,11-14,24H,7-10H2,1-3H3,(H,23,25)
InChIKeyJTDGRCVNQXYJII-UHFFFAOYSA-N
XLogP4.45
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[2-(3-hydroxyphenyl)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-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 18268789
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 31288260
3-[[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249590
3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 18276119
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide
CID 27167034
3-chloro-N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 56562290
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide;hydrochloride
CID 120508088
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 38540995
3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide
CID 26414165
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 55521138
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3-hydroxyphenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide?
The IUPAC name of 3-chloro-N-[2-(3-hydroxyphenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide (CID 52792141) is 3-chloro-N-[2-(3-hydroxyphenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for 3-chloro-N-[2-(3-hydroxyphenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide?
The canonical SMILES for 3-chloro-N-[2-(3-hydroxyphenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide is COc1cc(C(=O)NCCc2cccc(O)c2)cc(Cl)c1OCCC(C)C.
What is the InChIKey of 3-chloro-N-[2-(3-hydroxyphenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide?
The InChIKey is JTDGRCVNQXYJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO4/c1-14(2)8-10-27-20-18(22)12-16(13-19(20)26-3)21(25)23-9-7-15-5-4-6-17(24)11-15/h4-6,11-14,24H,7-10H2,1-3H3,(H,23,25).
What are the key properties of 3-chloro-N-[2-(3-hydroxyphenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide?
3-chloro-N-[2-(3-hydroxyphenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide has a molecular weight of 391.90 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3-hydroxyphenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 52792141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).