2-chloro-N-[3-oxo-3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propyl]benzamide

C16H22ClN3O3 — CID 8733244

IUPAC2-chloro-N-[3-oxo-3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propyl]benzamide
SMILESCCCNC(=O)[C@H](C)NC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H22ClN3O3/c1-3-9-18-15(22)11(2)20-14(21)8-10-19-16(23)12-6-4-5-7-13(12)17/h4-7,11H,3,8-10H2,1-2H3,(H,18,22)(H,19,23)(H,20,21)/t11-/m0/s1
InChIKeyNGOXZQNOOHPPRB-NSHDSACASA-N
MW339.82 g/mol
LogP1.49
Rot. Bonds8

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

2-chloro-N-[3-oxo-3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propyl]benzamide (PubChem CID 8733244) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 2-chloro-N-[3-oxo-3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-oxo-3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propyl]benzamide
PubChem CID8733244
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name2-chloro-N-[3-oxo-3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propyl]benzamide
SMILESCCCNC(=O)[C@H](C)NC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H22ClN3O3/c1-3-9-18-15(22)11(2)20-14(21)8-10-19-16(23)12-6-4-5-7-13(12)17/h4-7,11H,3,8-10H2,1-2H3,(H,18,22)(H,19,23)(H,20,21)/t11-/m0/s1
InChIKeyNGOXZQNOOHPPRB-NSHDSACASA-N
XLogP1.49
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[3-oxo-3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propyl]benzamide with MolForge

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Related Compounds

2-chloro-N-[3-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide
CID 8750671
2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide
CID 7962772
2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid
CID 60941467
2-chloro-N-[3-oxo-3-[[(1S)-1-pyridin-3-ylethyl]amino]propyl]benzamide
CID 39959067
2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
CID 9104877
N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide
CID 119278708
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992853
2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18161250
ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
CID 91637595
2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide
CID 43697641
N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-2-chlorobenzamide
CID 4834741

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-oxo-3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-oxo-3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propyl]benzamide (CID 8733244) is 2-chloro-N-[3-oxo-3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-oxo-3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-oxo-3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propyl]benzamide is CCCNC(=O)[C@H](C)NC(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-oxo-3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propyl]benzamide?
The InChIKey is NGOXZQNOOHPPRB-NSHDSACASA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-3-9-18-15(22)11(2)20-14(21)8-10-19-16(23)12-6-4-5-7-13(12)17/h4-7,11H,3,8-10H2,1-2H3,(H,18,22)(H,19,23)(H,20,21)/t11-/m0/s1.
What are the key properties of 2-chloro-N-[3-oxo-3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propyl]benzamide?
2-chloro-N-[3-oxo-3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propyl]benzamide has a molecular weight of 339.82 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-oxo-3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propyl]benzamide is sourced from PubChem (CID 8733244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).