2-[(4-acetamidobenzoyl)amino]-3-(2,4-dichlorophenyl)propanoate

C18H15Cl2N2O4- — CID 22305555

IUPAC2-[(4-acetamidobenzoyl)amino]-3-(2,4-dichlorophenyl)propanoate
SMILESCC(=O)Nc1ccc(C(=O)NC(Cc2ccc(Cl)cc2Cl)C(=O)[O-])cc1
InChIInChI=1S/C18H16Cl2N2O4/c1-10(23)21-14-6-3-11(4-7-14)17(24)22-16(18(25)26)8-12-2-5-13(19)9-15(12)20/h2-7,9,16H,8H2,1H3,(H,21,23)(H,22,24)(H,25,26)/p-1
InChIKeyYTFPXPNTDBMGHE-UHFFFAOYSA-M
MW394.23 g/mol
LogP2.04
Rot. Bonds6

About 2-[(4-acetamidobenzoyl)amino]-3-(2,4-dichlorophenyl)propanoate

2-[(4-acetamidobenzoyl)amino]-3-(2,4-dichlorophenyl)propanoate (PubChem CID 22305555) has the molecular formula C18H15Cl2N2O4- and a molecular weight of 394.23 g/mol. Its IUPAC name is 2-[(4-acetamidobenzoyl)amino]-3-(2,4-dichlorophenyl)propanoate.

Molecular Properties

Compound Name2-[(4-acetamidobenzoyl)amino]-3-(2,4-dichlorophenyl)propanoate
PubChem CID22305555
Molecular FormulaC18H15Cl2N2O4-
Molecular Weight394.23 g/mol
Exact Mass393.04
IUPAC Name2-[(4-acetamidobenzoyl)amino]-3-(2,4-dichlorophenyl)propanoate
SMILESCC(=O)Nc1ccc(C(=O)NC(Cc2ccc(Cl)cc2Cl)C(=O)[O-])cc1
InChIInChI=1S/C18H16Cl2N2O4/c1-10(23)21-14-6-3-11(4-7-14)17(24)22-16(18(25)26)8-12-2-5-13(19)9-15(12)20/h2-7,9,16H,8H2,1H3,(H,21,23)(H,22,24)(H,25,26)/p-1
InChIKeyYTFPXPNTDBMGHE-UHFFFAOYSA-M
XLogP2.04
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate
CID 1218600
5-acetamido-N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-hydroxybenzamide
CID 86880347
N-[(2R)-1-(2,4-dichlorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide
CID 142918333
4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 55802304
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]propanamide
CID 27646908
4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4844502
N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
CID 55335522
4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574
N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide
CID 910323
3-acetamido-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 17397210
N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide
CID 60619061

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidobenzoyl)amino]-3-(2,4-dichlorophenyl)propanoate?
The IUPAC name of 2-[(4-acetamidobenzoyl)amino]-3-(2,4-dichlorophenyl)propanoate (CID 22305555) is 2-[(4-acetamidobenzoyl)amino]-3-(2,4-dichlorophenyl)propanoate.
What is the SMILES notation for 2-[(4-acetamidobenzoyl)amino]-3-(2,4-dichlorophenyl)propanoate?
The canonical SMILES for 2-[(4-acetamidobenzoyl)amino]-3-(2,4-dichlorophenyl)propanoate is CC(=O)Nc1ccc(C(=O)NC(Cc2ccc(Cl)cc2Cl)C(=O)[O-])cc1.
What is the InChIKey of 2-[(4-acetamidobenzoyl)amino]-3-(2,4-dichlorophenyl)propanoate?
The InChIKey is YTFPXPNTDBMGHE-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16Cl2N2O4/c1-10(23)21-14-6-3-11(4-7-14)17(24)22-16(18(25)26)8-12-2-5-13(19)9-15(12)20/h2-7,9,16H,8H2,1H3,(H,21,23)(H,22,24)(H,25,26)/p-1.
What are the key properties of 2-[(4-acetamidobenzoyl)amino]-3-(2,4-dichlorophenyl)propanoate?
2-[(4-acetamidobenzoyl)amino]-3-(2,4-dichlorophenyl)propanoate has a molecular weight of 394.23 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidobenzoyl)amino]-3-(2,4-dichlorophenyl)propanoate is sourced from PubChem (CID 22305555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).