2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide

C15H21ClN2O2 — CID 7962772

IUPAC2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide
SMILESCCC(CC)NC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-3-11(4-2)18-14(19)9-10-17-15(20)12-7-5-6-8-13(12)16/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyOVGFWPKGQKYWEA-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.76
Rot. Bonds7

About 2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide

2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide (PubChem CID 7962772) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide
PubChem CID7962772
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide
SMILESCCC(CC)NC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-3-11(4-2)18-14(19)9-10-17-15(20)12-7-5-6-8-13(12)16/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyOVGFWPKGQKYWEA-UHFFFAOYSA-N
XLogP2.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 8733244
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2-chloro-N-undecylbenzamide
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2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
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2-chloro-N-[3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9480573
N-(1-aminobutan-2-yl)-2-chlorobenzamide
CID 65193613
2-chloro-N-(3-methylbutyl)benzamide
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N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide
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CID 7915102
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide (CID 7962772) is 2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide is CCC(CC)NC(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide?
The InChIKey is OVGFWPKGQKYWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-11(4-2)18-14(19)9-10-17-15(20)12-7-5-6-8-13(12)16/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide?
2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide has a molecular weight of 296.80 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide is sourced from PubChem (CID 7962772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).