3-chloro-N-[2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-oxoethyl]benzamide

C14H19ClN2O4 — CID 103802920

IUPAC3-chloro-N-[2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-oxoethyl]benzamide
SMILESCOCC(CCO)NC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O4/c1-21-9-12(5-6-18)17-13(19)8-16-14(20)10-3-2-4-11(15)7-10/h2-4,7,12,18H,5-6,8-9H2,1H3,(H,16,20)(H,17,19)
InChIKeyZEILKPULFVMKEO-UHFFFAOYSA-N
MW314.77 g/mol
LogP0.58
Rot. Bonds8

About 3-chloro-N-[2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-oxoethyl]benzamide

3-chloro-N-[2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 103802920) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-chloro-N-[2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID103802920
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name3-chloro-N-[2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-oxoethyl]benzamide
SMILESCOCC(CCO)NC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O4/c1-21-9-12(5-6-18)17-13(19)8-16-14(20)10-3-2-4-11(15)7-10/h2-4,7,12,18H,5-6,8-9H2,1H3,(H,16,20)(H,17,19)
InChIKeyZEILKPULFVMKEO-UHFFFAOYSA-N
XLogP0.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid
CID 61244023
3-chloro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981708
(2R)-2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]propanoic acid
CID 54991487
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 103851083
3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 24637931
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
[(1R)-1-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]boronic acid
CID 25183871
N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 46654447
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide
CID 24637788
3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
CID 24537992
3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 27231758

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-oxoethyl]benzamide (CID 103802920) is 3-chloro-N-[2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-oxoethyl]benzamide is COCC(CCO)NC(=O)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is ZEILKPULFVMKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-21-9-12(5-6-18)17-13(19)8-16-14(20)10-3-2-4-11(15)7-10/h2-4,7,12,18H,5-6,8-9H2,1H3,(H,16,20)(H,17,19).
What are the key properties of 3-chloro-N-[2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 314.77 g/mol, XLogP of 0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 103802920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).