2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide

C15H22Cl2N2O2 — CID 18380247

IUPAC2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide
SMILESCCCCC(CO)NC(=O)C(C)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O2/c1-3-4-5-12(9-20)19-15(21)10(2)18-11-6-7-13(16)14(17)8-11/h6-8,10,12,18,20H,3-5,9H2,1-2H3,(H,19,21)
InChIKeyADESTHMFYIGPAQ-UHFFFAOYSA-N
MW333.26 g/mol
LogP3.46
Rot. Bonds8

About 2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide

2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide (PubChem CID 18380247) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide
PubChem CID18380247
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide
SMILESCCCCC(CO)NC(=O)C(C)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O2/c1-3-4-5-12(9-20)19-15(21)10(2)18-11-6-7-13(16)14(17)8-11/h6-8,10,12,18,20H,3-5,9H2,1-2H3,(H,19,21)
InChIKeyADESTHMFYIGPAQ-UHFFFAOYSA-N
XLogP3.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,4-dichloroanilino)-N-hexan-2-ylpropanamide;N-[2-[2-(3,4-dichloroanilino)propanoylamino]-1-hydroxy-2-phenylethyl]benzamide
CID 67580059
1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea
CID 80697374
methyl 2-[2-(3,4-dichloroanilino)propanoylamino]propanoate
CID 18380258
(4S)-4-[[(2R)-2-(3,4-dichloroanilino)propanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 70160149
(2R)-2-(3,4-dichloroanilino)propanehydrazide
CID 946902
methyl (2S,3S)-2-[[(2S)-2-(3,4-dichloroanilino)propanoyl]amino]-3-methylpentanoate;methyl 2-[[(2S)-2-(3,4-dichloroanilino)propanoyl]amino]pentanoate
CID 67579943
N-butyl-2-(3-chloro-4-methylanilino)propanamide
CID 43112915
2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43348095
2-(3,4-dichloroanilino)-N,N-diethylpropanamide
CID 23317113
1-(3,4-dichlorophenyl)-3-[(2S)-pentan-2-yl]urea
CID 41098235
2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide
CID 43084686
(2R)-2-(3,4-dichloroanilino)propanoate
CID 7855671

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide (CID 18380247) is 2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide is CCCCC(CO)NC(=O)C(C)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide?
The InChIKey is ADESTHMFYIGPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-3-4-5-12(9-20)19-15(21)10(2)18-11-6-7-13(16)14(17)8-11/h6-8,10,12,18,20H,3-5,9H2,1-2H3,(H,19,21).
What are the key properties of 2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide?
2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide has a molecular weight of 333.26 g/mol, XLogP of 3.46, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide is sourced from PubChem (CID 18380247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).