(2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide

C16H16ClIN2O — CID 9431031

IUPAC(2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(I)cc1
InChIInChI=1S/C16H16ClIN2O/c1-10-3-4-12(17)9-15(10)20-16(21)11(2)19-14-7-5-13(18)6-8-14/h3-9,11,19H,1-2H3,(H,20,21)/t11-/m0/s1
InChIKeyUZOMVJWOCOXOJO-NSHDSACASA-N
MW414.67 g/mol
LogP4.69
Rot. Bonds4

About (2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide

(2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide (PubChem CID 9431031) has the molecular formula C16H16ClIN2O and a molecular weight of 414.67 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide
PubChem CID9431031
Molecular FormulaC16H16ClIN2O
Molecular Weight414.67 g/mol
Exact Mass414.00
IUPAC Name(2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(I)cc1
InChIInChI=1S/C16H16ClIN2O/c1-10-3-4-12(17)9-15(10)20-16(21)11(2)19-14-7-5-13(18)6-8-14/h3-9,11,19H,1-2H3,(H,20,21)/t11-/m0/s1
InChIKeyUZOMVJWOCOXOJO-NSHDSACASA-N
XLogP4.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.67
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 51333962
N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55351392
(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
CID 94063637
N-(5-chloro-2-methylphenyl)-2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanamide
CID 46667088
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide
CID 25381234
4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46744939
N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42939063
(2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate
CID 7679282
2-(4-iodoanilino)-N-methylpropanamide
CID 43086006
N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195653
2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide
CID 43113582
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide (CID 9431031) is (2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide is Cc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(I)cc1.
What is the InChIKey of (2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide?
The InChIKey is UZOMVJWOCOXOJO-NSHDSACASA-N. The full InChI is InChI=1S/C16H16ClIN2O/c1-10-3-4-12(17)9-15(10)20-16(21)11(2)19-14-7-5-13(18)6-8-14/h3-9,11,19H,1-2H3,(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide?
(2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide has a molecular weight of 414.67 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide is sourced from PubChem (CID 9431031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).