2-chloro-N-[3-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide

C15H20ClN3O3 — CID 8750671

IUPAC2-chloro-N-[3-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H20ClN3O3/c1-3-17-14(21)10(2)19-13(20)8-9-18-15(22)11-6-4-5-7-12(11)16/h4-7,10H,3,8-9H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)/t10-/m1/s1
InChIKeySFZTUTSOOTUVPM-SNVBAGLBSA-N
MW325.80 g/mol
LogP1.10
Rot. Bonds7

About 2-chloro-N-[3-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide

2-chloro-N-[3-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide (PubChem CID 8750671) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-chloro-N-[3-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide
PubChem CID8750671
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name2-chloro-N-[3-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H20ClN3O3/c1-3-17-14(21)10(2)19-13(20)8-9-18-15(22)11-6-4-5-7-12(11)16/h4-7,10H,3,8-9H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)/t10-/m1/s1
InChIKeySFZTUTSOOTUVPM-SNVBAGLBSA-N
XLogP1.10
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
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2-chloro-N-[3-oxo-3-[[(1S)-1-pyridin-3-ylethyl]amino]propyl]benzamide
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2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
CID 9104877
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
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N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide
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(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide
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2-chloro-N-(3-methylbutyl)benzamide
CID 669760
2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18161250
ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
CID 91637595
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]azanium
CID 8599022

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide (CID 8750671) is 2-chloro-N-[3-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide is CCNC(=O)[C@@H](C)NC(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide?
The InChIKey is SFZTUTSOOTUVPM-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-3-17-14(21)10(2)19-13(20)8-9-18-15(22)11-6-4-5-7-12(11)16/h4-7,10H,3,8-9H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)/t10-/m1/s1.
What are the key properties of 2-chloro-N-[3-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide has a molecular weight of 325.80 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 8750671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).