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

C16H23ClN2O2 — CID 100676452

IUPAC(2R)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
SMILESCCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)C
InChIInChI=1S/C16H23ClN2O2/c1-5-15(20)19(12(4)16(21)18-11(2)3)10-13-8-6-7-9-14(13)17/h6-9,11-12H,5,10H2,1-4H3,(H,18,21)/t12-/m1/s1
InChIKeyAJTLLQSOVVHRLB-GFCCVEGCSA-N
MW310.82 g/mol
LogP2.99
Rot. Bonds6

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

(2R)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide (PubChem CID 100676452) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is (2R)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
PubChem CID100676452
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name(2R)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
SMILESCCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)C
InChIInChI=1S/C16H23ClN2O2/c1-5-15(20)19(12(4)16(21)18-11(2)3)10-13-8-6-7-9-14(13)17/h6-9,11-12H,5,10H2,1-4H3,(H,18,21)/t12-/m1/s1
InChIKeyAJTLLQSOVVHRLB-GFCCVEGCSA-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 ≤ 500310.82
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
CID 132652594
(2R)-2-[(2-chlorophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100676603
2-[benzyl-[2-(2-chlorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 132656010
(2R)-2-[(2-chlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100676235
2-[(2-chlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132662001
(2S)-2-[(2-chlorophenyl)methyl-[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 100671927
2-[(4-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
CID 132650421
2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132674608
2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 132658494
(2R)-2-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100670350
(2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]-N-propan-2-ylpropanamide
CID 100670247
N-butan-2-yl-2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132705664

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide (CID 100676452) is (2R)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide is CCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)C.
What is the InChIKey of (2R)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide?
The InChIKey is AJTLLQSOVVHRLB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-5-15(20)19(12(4)16(21)18-11(2)3)10-13-8-6-7-9-14(13)17/h6-9,11-12H,5,10H2,1-4H3,(H,18,21)/t12-/m1/s1.
What are the key properties of (2R)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide?
(2R)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide has a molecular weight of 310.82 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 (2R)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 100676452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).