N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide

C24H22ClN3O3 — CID 55335522

IUPACN-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
SMILESCC(=O)Nc1cccc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H22ClN3O3/c1-16(29)26-20-8-5-9-21(15-20)27-24(31)22(14-17-6-3-2-4-7-17)28-23(30)18-10-12-19(25)13-11-18/h2-13,15,22H,14H2,1H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeyCLKFZWNWSYTBQX-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.28
Rot. Bonds7

About N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide

N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide (PubChem CID 55335522) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
PubChem CID55335522
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC NameN-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
SMILESCC(=O)Nc1cccc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H22ClN3O3/c1-16(29)26-20-8-5-9-21(15-20)27-24(31)22(14-17-6-3-2-4-7-17)28-23(30)18-10-12-19(25)13-11-18/h2-13,15,22H,14H2,1H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeyCLKFZWNWSYTBQX-UHFFFAOYSA-N
XLogP4.28
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55573094
4-chloro-N-[1-[4-[3-(dimethylamino)propanoylamino]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 146125938
N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112763253
3-[(2-benzamido-3-phenylpropanoyl)amino]-N-hydroxybenzamide
CID 178016044
4-chloro-N-[1-[3-(difluoromethoxy)-4-methoxyanilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55533344
N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 40701331
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42725017
5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide
CID 46863371
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
2-benzamido-N-[(2S)-1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 1340046
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
4-chloro-N-[1-oxo-3-phenyl-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]benzamide
CID 55909729

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide (CID 55335522) is N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide is CC(=O)Nc1cccc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide?
The InChIKey is CLKFZWNWSYTBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-16(29)26-20-8-5-9-21(15-20)27-24(31)22(14-17-6-3-2-4-7-17)28-23(30)18-10-12-19(25)13-11-18/h2-13,15,22H,14H2,1H3,(H,26,29)(H,27,31)(H,28,30).
What are the key properties of N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide?
N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide has a molecular weight of 435.91 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 55335522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).