N-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide

C21H18ClNO3 — CID 25362280

IUPACN-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)[C@@H](C)Oc2ccc(Cl)c3ccccc23)cc1
InChIInChI=1S/C21H18ClNO3/c1-13(21(25)15-7-9-16(10-8-15)23-14(2)24)26-20-12-11-19(22)17-5-3-4-6-18(17)20/h3-13H,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeyDECAMEFOUCDTFZ-CYBMUJFWSA-N
MW367.83 g/mol
LogP5.10
Rot. Bonds5

About N-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide

N-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide (PubChem CID 25362280) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is N-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide
PubChem CID25362280
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC NameN-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)[C@@H](C)Oc2ccc(Cl)c3ccccc23)cc1
InChIInChI=1S/C21H18ClNO3/c1-13(21(25)15-7-9-16(10-8-15)23-14(2)24)26-20-12-11-19(22)17-5-3-4-6-18(17)20/h3-13H,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeyDECAMEFOUCDTFZ-CYBMUJFWSA-N
XLogP5.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.83
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one
CID 4833725
3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 1218534
(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 891501
2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide
CID 7916182
(2S)-2-(4-chloronaphthalen-1-yl)oxy-N-cyclopentylpropanamide
CID 8021445
N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide
CID 112778861
(2S)-2-(4-chloronaphthalen-1-yl)oxy-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 8021477
4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide
CID 9230997
[(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
CID 41235805
N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide
CID 7788104
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)propanamide
CID 2907980
(2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid
CID 67926622

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide (CID 25362280) is N-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)[C@@H](C)Oc2ccc(Cl)c3ccccc23)cc1.
What is the InChIKey of N-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide?
The InChIKey is DECAMEFOUCDTFZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H18ClNO3/c1-13(21(25)15-7-9-16(10-8-15)23-14(2)24)26-20-12-11-19(22)17-5-3-4-6-18(17)20/h3-13H,1-2H3,(H,23,24)/t13-/m1/s1.
What are the key properties of N-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide?
N-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide has a molecular weight of 367.83 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide is sourced from PubChem (CID 25362280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).