4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide

C17H25ClN2O2 — CID 26519163

IUPAC4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide
SMILESCC(C)CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O2/c1-12(2)4-5-13(3)20-16(21)10-11-19-17(22)14-6-8-15(18)9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyMTTDVVJKDNBPQW-CYBMUJFWSA-N
MW324.85 g/mol
LogP3.40
Rot. Bonds8

About 4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide

4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide (PubChem CID 26519163) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide
PubChem CID26519163
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide
SMILESCC(C)CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O2/c1-12(2)4-5-13(3)20-16(21)10-11-19-17(22)14-6-8-15(18)9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyMTTDVVJKDNBPQW-CYBMUJFWSA-N
XLogP3.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide
CID 18162412
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4-chloro-N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]benzamide
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4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide
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N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide
CID 60634738
N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide
CID 4805361
4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide
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N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide
CID 42908953
4-[(4-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 80538177
N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide
CID 24600791
4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide
CID 40897930

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide (CID 26519163) is 4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide is CC(C)CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide?
The InChIKey is MTTDVVJKDNBPQW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-12(2)4-5-13(3)20-16(21)10-11-19-17(22)14-6-8-15(18)9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,22)(H,20,21)/t13-/m1/s1.
What are the key properties of 4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide has a molecular weight of 324.85 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[[(2R)-5-methylhexan-2-yl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 26519163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).