N-tert-butyl-5-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-2-methoxybenzamide

C20H23ClN2O4 — CID 139347852

IUPACN-tert-butyl-5-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-2-methoxybenzamide
SMILESCOc1ccc(NC(=O)Cc2cc(Cl)ccc2O)cc1C(=O)NC(C)(C)C
InChIInChI=1S/C20H23ClN2O4/c1-20(2,3)23-19(26)15-11-14(6-8-17(15)27-4)22-18(25)10-12-9-13(21)5-7-16(12)24/h5-9,11,24H,10H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyMOHJKYRDGORXAX-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.76
Rot. Bonds5

About N-tert-butyl-5-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-2-methoxybenzamide

N-tert-butyl-5-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-2-methoxybenzamide (PubChem CID 139347852) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-tert-butyl-5-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-tert-butyl-5-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-2-methoxybenzamide
PubChem CID139347852
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC NameN-tert-butyl-5-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-2-methoxybenzamide
SMILESCOc1ccc(NC(=O)Cc2cc(Cl)ccc2O)cc1C(=O)NC(C)(C)C
InChIInChI=1S/C20H23ClN2O4/c1-20(2,3)23-19(26)15-11-14(6-8-17(15)27-4)22-18(25)10-12-9-13(21)5-7-16(12)24/h5-9,11,24H,10H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyMOHJKYRDGORXAX-UHFFFAOYSA-N
XLogP3.76
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-5-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-2-methoxybenzamide 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-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 15907736
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide
CID 43548657
N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348454
N-(3-bromo-4-methoxyphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78955856
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
N-(3-bromo-4-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 63998623
5-chloro-2-hydroxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 47317877
tert-butyl N-[3-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-4-fluorophenyl]carbamate
CID 78861114
N-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804409
5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide
CID 18128122
N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide
CID 78890966

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-2-methoxybenzamide?
The IUPAC name of N-tert-butyl-5-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-2-methoxybenzamide (CID 139347852) is N-tert-butyl-5-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-2-methoxybenzamide.
What is the SMILES notation for N-tert-butyl-5-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-2-methoxybenzamide?
The canonical SMILES for N-tert-butyl-5-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-2-methoxybenzamide is COc1ccc(NC(=O)Cc2cc(Cl)ccc2O)cc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-2-methoxybenzamide?
The InChIKey is MOHJKYRDGORXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-20(2,3)23-19(26)15-11-14(6-8-17(15)27-4)22-18(25)10-12-9-13(21)5-7-16(12)24/h5-9,11,24H,10H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of N-tert-butyl-5-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-2-methoxybenzamide?
N-tert-butyl-5-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-2-methoxybenzamide has a molecular weight of 390.87 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-2-methoxybenzamide is sourced from PubChem (CID 139347852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).