(2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide

C22H22ClN3O2 — CID 2572986

IUPAC(2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
SMILESC[C@H](C(=O)Nc1ccc2ccccc2c1)N(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O2/c1-15(26(2)14-21(27)24-19-11-8-18(23)9-12-19)22(28)25-20-10-7-16-5-3-4-6-17(16)13-20/h3-13,15H,14H2,1-2H3,(H,24,27)(H,25,28)/t15-/m1/s1
InChIKeyPCQJXWUBIKIFIV-OAHLLOKOSA-N
MW395.89 g/mol
LogP4.39
Rot. Bonds6

About (2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide

(2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide (PubChem CID 2572986) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is (2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
PubChem CID2572986
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name(2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
SMILESC[C@H](C(=O)Nc1ccc2ccccc2c1)N(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O2/c1-15(26(2)14-21(27)24-19-11-8-18(23)9-12-19)22(28)25-20-10-7-16-5-3-4-6-17(16)13-20/h3-13,15H,14H2,1-2H3,(H,24,27)(H,25,28)/t15-/m1/s1
InChIKeyPCQJXWUBIKIFIV-OAHLLOKOSA-N
XLogP4.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
CID 8767426
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide
CID 46801974
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide
CID 111496932
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
(2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide
CID 9027057
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658720
(2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide
CID 124732754
(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658568
(2S)-2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
CID 25439831
(2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 7993669
N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 17438079

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide?
The IUPAC name of (2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide (CID 2572986) is (2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide?
The canonical SMILES for (2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide is C[C@H](C(=O)Nc1ccc2ccccc2c1)N(C)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide?
The InChIKey is PCQJXWUBIKIFIV-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-15(26(2)14-21(27)24-19-11-8-18(23)9-12-19)22(28)25-20-10-7-16-5-3-4-6-17(16)13-20/h3-13,15H,14H2,1-2H3,(H,24,27)(H,25,28)/t15-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide?
(2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide has a molecular weight of 395.89 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 2572986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).