N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide

C13H17ClN2O2 — CID 60634738

IUPACN-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide
SMILESCCC(C)NC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-3-9(2)16-12(17)8-15-13(18)10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeySUVKTZXFPWWMEX-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.98
Rot. Bonds5

About N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide

N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide (PubChem CID 60634738) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide
PubChem CID60634738
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide
SMILESCCC(C)NC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-3-9(2)16-12(17)8-15-13(18)10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeySUVKTZXFPWWMEX-UHFFFAOYSA-N
XLogP1.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide
CID 40897930
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031853
4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701327
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354162
4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 792434
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 34675021
(2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 80749551
4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide
CID 26519163
3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 43360766
4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400868

Frequently Asked Questions

What is the IUPAC name of N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide (CID 60634738) is N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide is CCC(C)NC(=O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide?
The InChIKey is SUVKTZXFPWWMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-9(2)16-12(17)8-15-13(18)10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide?
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide has a molecular weight of 268.74 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide is sourced from PubChem (CID 60634738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).