(2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide

C19H21ClN2O2 — CID 100565411

IUPAC(2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14(19(24)21-2)22(13-16-6-4-3-5-7-16)18(23)12-15-8-10-17(20)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyKLXCCPWGPQLPDG-CQSZACIVSA-N
MW344.84 g/mol
LogP3.05
Rot. Bonds6

About (2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide

(2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide (PubChem CID 100565411) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is (2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide
PubChem CID100565411
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name(2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14(19(24)21-2)22(13-16-6-4-3-5-7-16)18(23)12-15-8-10-17(20)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyKLXCCPWGPQLPDG-CQSZACIVSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132656046
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 132656017
2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
CID 132654073
2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide
CID 132763037
2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide
CID 132656904
(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-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-methyl-2-phenylacetamide
CID 133237735
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 43820968
(2R)-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100680950
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide
CID 43820821
2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide
CID 132651314

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide (CID 100565411) is (2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide is CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide?
The InChIKey is KLXCCPWGPQLPDG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14(19(24)21-2)22(13-16-6-4-3-5-7-16)18(23)12-15-8-10-17(20)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide?
(2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide has a molecular weight of 344.84 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 100565411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).