(2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine

C16H27Cl2N3O — CID 172781783

IUPAC(2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine
SMILESCCCCC(C)NC(=O)[C@H](C)Nc1cc(Cl)cc(Cl)c1.CN
InChIInChI=1S/C15H22Cl2N2O.CH5N/c1-4-5-6-10(2)18-15(20)11(3)19-14-8-12(16)7-13(17)9-14;1-2/h7-11,19H,4-6H2,1-3H3,(H,18,20);2H2,1H3/t10?,11-;/m0./s1
InChIKeyOIYUAHRNKYYFJX-GQNCZFCYSA-N
MW348.32 g/mol
LogP4.06
Rot. Bonds7

About (2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine

(2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine (PubChem CID 172781783) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is (2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine.

Molecular Properties

Compound Name(2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine
PubChem CID172781783
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name(2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine
SMILESCCCCC(C)NC(=O)[C@H](C)Nc1cc(Cl)cc(Cl)c1.CN
InChIInChI=1S/C15H22Cl2N2O.CH5N/c1-4-5-6-10(2)18-15(20)11(3)19-14-8-12(16)7-13(17)9-14;1-2/h7-11,19H,4-6H2,1-3H3,(H,18,20);2H2,1H3/t10?,11-;/m0./s1
InChIKeyOIYUAHRNKYYFJX-GQNCZFCYSA-N
XLogP4.06
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-nonan-2-ylaniline
CID 55199203
methyl (2S)-2-(3,5-dichloroanilino)propanoate
CID 26599088
2-(3,5-dichloroanilino)propanamide
CID 43085996
methyl 2-[2-(3,5-difluoroanilino)propanoylamino]hexanoate
CID 70159557
2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide
CID 107365072
2-(3,4-dichloroanilino)-N-(1-hydroxyhexan-2-yl)propanamide
CID 18380247
2-(3,5-dichloroanilino)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 18380270
2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43348095
3-chloro-N-hexan-2-yl-5-(trifluoromethyl)aniline
CID 116698988
(2S)-2-(3,4-dichloroanilino)-N-hexan-2-ylpropanamide;N-[2-[2-(3,4-dichloroanilino)propanoylamino]-1-hydroxy-2-phenylethyl]benzamide
CID 67580059
2-(hexan-2-ylamino)-N-pentan-2-ylpropanamide
CID 62201162
N-butyl-2-(4-chloroanilino)propanamide
CID 43112925

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine?
The IUPAC name of (2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine (CID 172781783) is (2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine.
What is the SMILES notation for (2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine?
The canonical SMILES for (2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine is CCCCC(C)NC(=O)[C@H](C)Nc1cc(Cl)cc(Cl)c1.CN.
What is the InChIKey of (2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine?
The InChIKey is OIYUAHRNKYYFJX-GQNCZFCYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O.CH5N/c1-4-5-6-10(2)18-15(20)11(3)19-14-8-12(16)7-13(17)9-14;1-2/h7-11,19H,4-6H2,1-3H3,(H,18,20);2H2,1H3/t10?,11-;/m0./s1.
What are the key properties of (2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine?
(2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine has a molecular weight of 348.32 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine is sourced from PubChem (CID 172781783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).