3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide

C13H17ClN2O2 — CID 7992872

IUPAC3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-3-7-15-12(17)9(2)16-13(18)10-5-4-6-11(14)8-10/h4-6,8-9H,3,7H2,1-2H3,(H,15,17)(H,16,18)/t9-/m1/s1
InChIKeyCAWLEVNCRYJVBP-SECBINFHSA-N
MW268.74 g/mol
LogP1.98
Rot. Bonds5

About 3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide

3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 7992872) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID7992872
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-3-7-15-12(17)9(2)16-13(18)10-5-4-6-11(14)8-10/h4-6,8-9H,3,7H2,1-2H3,(H,15,17)(H,16,18)/t9-/m1/s1
InChIKeyCAWLEVNCRYJVBP-SECBINFHSA-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

3-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51196385
3-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992878
3-fluoro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992916
3-cyano-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46820237
3-chloro-N-(3-oxobutan-2-yl)benzamide
CID 64997142
4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 80965532
N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
CID 54104367
2,6-dichloro-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 60659620
3-chloro-N-propan-2-ylbenzamide
CID 669184
3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide
CID 46388457
3-chloro-N-[(2S)-3-hydroxybut-3-en-2-yl]benzamide
CID 145361374
2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476340

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 7992872) is 3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is CAWLEVNCRYJVBP-SECBINFHSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-7-15-12(17)9(2)16-13(18)10-5-4-6-11(14)8-10/h4-6,8-9H,3,7H2,1-2H3,(H,15,17)(H,16,18)/t9-/m1/s1.
What are the key properties of 3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide 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 3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 7992872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).