N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide

C26H20Cl2N2O2 — CID 42725029

IUPACN-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc2ccccc12
InChIInChI=1S/C26H20Cl2N2O2/c27-19-13-14-23(22(28)16-19)29-26(32)24(15-17-7-2-1-3-8-17)30-25(31)21-12-6-10-18-9-4-5-11-20(18)21/h1-14,16,24H,15H2,(H,29,32)(H,30,31)
InChIKeyJVNPNWLUIWEMHK-UHFFFAOYSA-N
MW463.36 g/mol
LogP6.13
Rot. Bonds6

About N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide

N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide (PubChem CID 42725029) has the molecular formula C26H20Cl2N2O2 and a molecular weight of 463.36 g/mol. Its IUPAC name is N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide
PubChem CID42725029
Molecular FormulaC26H20Cl2N2O2
Molecular Weight463.36 g/mol
Exact Mass462.09
IUPAC NameN-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc2ccccc12
InChIInChI=1S/C26H20Cl2N2O2/c27-19-13-14-23(22(28)16-19)29-26(32)24(15-17-7-2-1-3-8-17)30-25(31)21-12-6-10-18-9-4-5-11-20(18)21/h1-14,16,24H,15H2,(H,29,32)(H,30,31)
InChIKeyJVNPNWLUIWEMHK-UHFFFAOYSA-N
XLogP6.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.36
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide
CID 42725023
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42725017
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide
CID 42725617
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 42725016
2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide
CID 118296422
ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate
CID 22093441
5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide
CID 46863371
2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide
CID 93099916
2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 144901028
2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 118296500
N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55345705
[(1R)-3-methyl-1-[[(2S)-2-(naphthalene-1-carbonylamino)-3-phenylpropanoyl]amino]butyl]boronic acid
CID 102483235

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide (CID 42725029) is N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide is O=C(NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl)c1cccc2ccccc12.
What is the InChIKey of N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide?
The InChIKey is JVNPNWLUIWEMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N2O2/c27-19-13-14-23(22(28)16-19)29-26(32)24(15-17-7-2-1-3-8-17)30-25(31)21-12-6-10-18-9-4-5-11-20(18)21/h1-14,16,24H,15H2,(H,29,32)(H,30,31).
What are the key properties of N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide?
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide has a molecular weight of 463.36 g/mol, XLogP of 6.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 42725029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).