2-chloro-N-[2-[[(2S)-3-ethyl-2-hydroxypentyl]amino]-2-oxoethyl]benzamide

C16H23ClN2O3 — CID 95622425

IUPAC2-chloro-N-[2-[[(2S)-3-ethyl-2-hydroxypentyl]amino]-2-oxoethyl]benzamide
SMILESCCC(CC)[C@H](O)CNC(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-3-11(4-2)14(20)9-18-15(21)10-19-16(22)12-7-5-6-8-13(12)17/h5-8,11,14,20H,3-4,9-10H2,1-2H3,(H,18,21)(H,19,22)/t14-/m1/s1
InChIKeyWLUPBVVDRNFFIZ-CQSZACIVSA-N
MW326.82 g/mol
LogP1.98
Rot. Bonds8

About 2-chloro-N-[2-[[(2S)-3-ethyl-2-hydroxypentyl]amino]-2-oxoethyl]benzamide

2-chloro-N-[2-[[(2S)-3-ethyl-2-hydroxypentyl]amino]-2-oxoethyl]benzamide (PubChem CID 95622425) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 2-chloro-N-[2-[[(2S)-3-ethyl-2-hydroxypentyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[(2S)-3-ethyl-2-hydroxypentyl]amino]-2-oxoethyl]benzamide
PubChem CID95622425
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name2-chloro-N-[2-[[(2S)-3-ethyl-2-hydroxypentyl]amino]-2-oxoethyl]benzamide
SMILESCCC(CC)[C@H](O)CNC(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-3-11(4-2)14(20)9-18-15(21)10-19-16(22)12-7-5-6-8-13(12)17/h5-8,11,14,20H,3-4,9-10H2,1-2H3,(H,18,21)(H,19,22)/t14-/m1/s1
InChIKeyWLUPBVVDRNFFIZ-CQSZACIVSA-N
XLogP1.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide
CID 111115939
3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-nitrobenzamide
CID 103739426
methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
CID 27682431
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 103770297
2-(3-chlorophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658434
2-acetamido-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658528
2-(2-aminophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103833107
2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide
CID 43392696
2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9218518
2-bromo-N-[2-[(3,3-difluoro-2-hydroxypropyl)amino]-2-oxoethyl]benzamide
CID 104889713
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide
CID 55658916

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[(2S)-3-ethyl-2-hydroxypentyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[(2S)-3-ethyl-2-hydroxypentyl]amino]-2-oxoethyl]benzamide (CID 95622425) is 2-chloro-N-[2-[[(2S)-3-ethyl-2-hydroxypentyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[(2S)-3-ethyl-2-hydroxypentyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[(2S)-3-ethyl-2-hydroxypentyl]amino]-2-oxoethyl]benzamide is CCC(CC)[C@H](O)CNC(=O)CNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[[(2S)-3-ethyl-2-hydroxypentyl]amino]-2-oxoethyl]benzamide?
The InChIKey is WLUPBVVDRNFFIZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-3-11(4-2)14(20)9-18-15(21)10-19-16(22)12-7-5-6-8-13(12)17/h5-8,11,14,20H,3-4,9-10H2,1-2H3,(H,18,21)(H,19,22)/t14-/m1/s1.
What are the key properties of 2-chloro-N-[2-[[(2S)-3-ethyl-2-hydroxypentyl]amino]-2-oxoethyl]benzamide?
2-chloro-N-[2-[[(2S)-3-ethyl-2-hydroxypentyl]amino]-2-oxoethyl]benzamide has a molecular weight of 326.82 g/mol, XLogP of 1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[(2S)-3-ethyl-2-hydroxypentyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 95622425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).