2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide

C23H22ClFN2O2 — CID 144727901

IUPAC2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide
SMILESCOc1ccc(CNC(=O)c2c(Cl)cccc2NCc2ccc(C)cc2)cc1F
InChIInChI=1S/C23H22ClFN2O2/c1-15-6-8-16(9-7-15)13-26-20-5-3-4-18(24)22(20)23(28)27-14-17-10-11-21(29-2)19(25)12-17/h3-12,26H,13-14H2,1-2H3,(H,27,28)
InChIKeyHQDQRUBQZKTFAG-UHFFFAOYSA-N
MW412.89 g/mol
LogP5.34
Rot. Bonds7

About 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide

2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide (PubChem CID 144727901) has the molecular formula C23H22ClFN2O2 and a molecular weight of 412.89 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide
PubChem CID144727901
Molecular FormulaC23H22ClFN2O2
Molecular Weight412.89 g/mol
Exact Mass412.14
IUPAC Name2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide
SMILESCOc1ccc(CNC(=O)c2c(Cl)cccc2NCc2ccc(C)cc2)cc1F
InChIInChI=1S/C23H22ClFN2O2/c1-15-6-8-16(9-7-15)13-26-20-5-3-4-18(24)22(20)23(28)27-14-17-10-11-21(29-2)19(25)12-17/h3-12,26H,13-14H2,1-2H3,(H,27,28)
InChIKeyHQDQRUBQZKTFAG-UHFFFAOYSA-N
XLogP5.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.89
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 86297315
2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 86296544
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide
CID 86297131
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide
CID 86297319
2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463
N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784344
2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane
CID 144727883
3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906161
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55897755

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide?
The IUPAC name of 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide (CID 144727901) is 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide?
The canonical SMILES for 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide is COc1ccc(CNC(=O)c2c(Cl)cccc2NCc2ccc(C)cc2)cc1F.
What is the InChIKey of 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide?
The InChIKey is HQDQRUBQZKTFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O2/c1-15-6-8-16(9-7-15)13-26-20-5-3-4-18(24)22(20)23(28)27-14-17-10-11-21(29-2)19(25)12-17/h3-12,26H,13-14H2,1-2H3,(H,27,28).
What are the key properties of 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide?
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide has a molecular weight of 412.89 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide is sourced from PubChem (CID 144727901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).