N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide

C14H21ClN2O — CID 62199666

IUPACN-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide
SMILESCCCCC(C)NCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-3-4-6-11(2)16-10-14(18)17-13-8-5-7-12(15)9-13/h5,7-9,11,16H,3-4,6,10H2,1-2H3,(H,17,18)
InChIKeyDWEQPHCDQUJTAP-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.45
Rot. Bonds7

About N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide

N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide (PubChem CID 62199666) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide
PubChem CID62199666
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide
SMILESCCCCC(C)NCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-3-4-6-11(2)16-10-14(18)17-13-8-5-7-12(15)9-13/h5,7-9,11,16H,3-4,6,10H2,1-2H3,(H,17,18)
InChIKeyDWEQPHCDQUJTAP-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide
CID 60689776
N-(3-methylphenyl)-2-(pentan-2-ylamino)acetamide
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N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide
CID 60647450
2-(but-3-yn-2-ylamino)-N-(3-chlorophenyl)acetamide
CID 114416777
N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide
CID 43401773
methyl 2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-4-methylpentanoate
CID 60692670
2-(butylamino)-N-(3-chlorophenyl)propanamide
CID 3069643
N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347088
N-(3-chlorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369862
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide (CID 62199666) is N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide is CCCCC(C)NCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide?
The InChIKey is DWEQPHCDQUJTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-4-6-11(2)16-10-14(18)17-13-8-5-7-12(15)9-13/h5,7-9,11,16H,3-4,6,10H2,1-2H3,(H,17,18).
What are the key properties of N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide?
N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide has a molecular weight of 268.79 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide is sourced from PubChem (CID 62199666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).