4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide

C24H24ClN3O4 — CID 25355176

IUPAC4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)Nc3cc(Cl)ccc3OC)cc2)cc1
InChIInChI=1S/C24H24ClN3O4/c1-15(23(29)28-21-14-17(25)6-13-22(21)32-3)26-18-7-4-16(5-8-18)24(30)27-19-9-11-20(31-2)12-10-19/h4-15,26H,1-3H3,(H,27,30)(H,28,29)/t15-/m1/s1
InChIKeyAOLYUVNZFDBBGO-OAHLLOKOSA-N
MW453.93 g/mol
LogP5.05
Rot. Bonds8

About 4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide

4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 25355176) has the molecular formula C24H24ClN3O4 and a molecular weight of 453.93 g/mol. Its IUPAC name is 4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID25355176
Molecular FormulaC24H24ClN3O4
Molecular Weight453.93 g/mol
Exact Mass453.15
IUPAC Name4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)Nc3cc(Cl)ccc3OC)cc2)cc1
InChIInChI=1S/C24H24ClN3O4/c1-15(23(29)28-21-14-17(25)6-13-22(21)32-3)26-18-7-4-16(5-8-18)24(30)27-19-9-11-20(31-2)12-10-19/h4-15,26H,1-3H3,(H,27,30)(H,28,29)/t15-/m1/s1
InChIKeyAOLYUVNZFDBBGO-OAHLLOKOSA-N
XLogP5.05
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.93
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide
CID 112987245
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide
CID 7928705
3-(2-bromopropanoylamino)-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 118878020
4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide
CID 41190635
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 166198122
4-[[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798118
4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798117
3-chloro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 46323153
2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17480510
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275
N-(2,5-dimethoxyphenyl)-2-(4-ethylanilino)propanamide
CID 51178496
N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 42911755

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide (CID 25355176) is 4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)Nc3cc(Cl)ccc3OC)cc2)cc1.
What is the InChIKey of 4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is AOLYUVNZFDBBGO-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H24ClN3O4/c1-15(23(29)28-21-14-17(25)6-13-22(21)32-3)26-18-7-4-16(5-8-18)24(30)27-19-9-11-20(31-2)12-10-19/h4-15,26H,1-3H3,(H,27,30)(H,28,29)/t15-/m1/s1.
What are the key properties of 4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide?
4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 453.93 g/mol, XLogP of 5.05, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 25355176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).