2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide

C16H23ClN2O2 — CID 132650421

IUPAC2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
SMILESCCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NC(C)C
InChIInChI=1S/C16H23ClN2O2/c1-5-15(20)19(12(4)16(21)18-11(2)3)10-13-6-8-14(17)9-7-13/h6-9,11-12H,5,10H2,1-4H3,(H,18,21)
InChIKeyZLAJKQUWSPYBBE-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.99
Rot. Bonds6

About 2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide

2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide (PubChem CID 132650421) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
PubChem CID132650421
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
SMILESCCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NC(C)C
InChIInChI=1S/C16H23ClN2O2/c1-5-15(20)19(12(4)16(21)18-11(2)3)10-13-6-8-14(17)9-7-13/h6-9,11-12H,5,10H2,1-4H3,(H,18,21)
InChIKeyZLAJKQUWSPYBBE-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-propanoylamino]propanamide
CID 100566703
(2R)-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100680950
2-[(4-chlorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide
CID 133149381
(2S)-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100683617
2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
CID 132652594
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-chlorophenyl)methyl]butanamide
CID 132700122
(2R)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
CID 100676452
(2S)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-propanoylamino]butanamide
CID 100708064
2-[[2-(4-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 133194395
(2S)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100520058
(2S)-N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]propanamide
CID 100558894
2-[(4-chlorophenyl)methyl-[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide
CID 132674686

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide (CID 132650421) is 2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide is CCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NC(C)C.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide?
The InChIKey is ZLAJKQUWSPYBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-5-15(20)19(12(4)16(21)18-11(2)3)10-13-6-8-14(17)9-7-13/h6-9,11-12H,5,10H2,1-4H3,(H,18,21).
What are the key properties of 2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide?
2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide has a molecular weight of 310.83 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 132650421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).