2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N-cyclopropylbenzamide

C22H24ClN3O3 — CID 8023635

IUPAC2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N-cyclopropylbenzamide
SMILESCC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C22H24ClN3O3/c1-13(2)19(26-20(27)15-7-3-5-9-17(15)23)22(29)25-18-10-6-4-8-16(18)21(28)24-14-11-12-14/h3-10,13-14,19H,11-12H2,1-2H3,(H,24,28)(H,25,29)(H,26,27)/t19-/m1/s1
InChIKeyNYALHHQBWBLYQS-LJQANCHMSA-N
MW413.91 g/mol
LogP3.63
Rot. Bonds7

About 2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N-cyclopropylbenzamide

2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N-cyclopropylbenzamide (PubChem CID 8023635) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N-cyclopropylbenzamide
PubChem CID8023635
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N-cyclopropylbenzamide
SMILESCC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C22H24ClN3O3/c1-13(2)19(26-20(27)15-7-3-5-9-17(15)23)22(29)25-18-10-6-4-8-16(18)21(28)24-14-11-12-14/h3-10,13-14,19H,11-12H2,1-2H3,(H,24,28)(H,25,29)(H,26,27)/t19-/m1/s1
InChIKeyNYALHHQBWBLYQS-LJQANCHMSA-N
XLogP3.63
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2R)-3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]benzamide
CID 51865236
cis-(1S,3R)-3-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120674933
2-(2-aminopropanoylamino)-N-cyclopropylbenzamide
CID 24693610
N-[(2S)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 32689439
2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 41011047
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
CID 74645893
2-chloro-N-[1-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55894078
2-chloro-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9327127
2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 47100101
N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 112760791
2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide
CID 24692164

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N-cyclopropylbenzamide (CID 8023635) is 2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N-cyclopropylbenzamide is CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of 2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N-cyclopropylbenzamide?
The InChIKey is NYALHHQBWBLYQS-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-13(2)19(26-20(27)15-7-3-5-9-17(15)23)22(29)25-18-10-6-4-8-16(18)21(28)24-14-11-12-14/h3-10,13-14,19H,11-12H2,1-2H3,(H,24,28)(H,25,29)(H,26,27)/t19-/m1/s1.
What are the key properties of 2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N-cyclopropylbenzamide?
2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N-cyclopropylbenzamide has a molecular weight of 413.91 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 8023635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).