N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-2H-chromene-3-carboxamide

C18H15ClN2O3 — CID 95981582

IUPACN-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-2H-chromene-3-carboxamide
SMILESNC(=O)[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O3/c19-14-7-5-11(6-8-14)16(17(20)22)21-18(23)13-9-12-3-1-2-4-15(12)24-10-13/h1-9,16H,10H2,(H2,20,22)(H,21,23)/t16-/m1/s1
InChIKeyUHODIUBQDJWDQW-MRXNPFEDSA-N
MW342.78 g/mol
LogP2.46
Rot. Bonds4

About N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-2H-chromene-3-carboxamide

N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-2H-chromene-3-carboxamide (PubChem CID 95981582) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-2H-chromene-3-carboxamide
PubChem CID95981582
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC NameN-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-2H-chromene-3-carboxamide
SMILESNC(=O)[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O3/c19-14-7-5-11(6-8-14)16(17(20)22)21-18(23)13-9-12-3-1-2-4-15(12)24-10-13/h1-9,16H,10H2,(H2,20,22)(H,21,23)/t16-/m1/s1
InChIKeyUHODIUBQDJWDQW-MRXNPFEDSA-N
XLogP2.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-anilino-2-oxo-1-phenylethyl)-2H-chromene-3-carboxamide
CID 55779225
N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide
CID 47014819
methyl 2-(2H-chromene-3-carbonylamino)-3-methylbutanoate
CID 75856990
N-methyl-2H-chromene-3-carboxamide
CID 13029267
3-(2H-chromene-3-carbonylamino)butanoic acid
CID 119220849
N-[phenyl(pyridin-4-yl)methyl]-2H-chromene-3-carboxamide
CID 86907598
2-(2H-chromene-3-carbonylamino)-2-cyclopropylacetic acid
CID 119213336
N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide
CID 26736929
(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid
CID 124689247
N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016
2H-chromene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118037506
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide
CID 110278878

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-2H-chromene-3-carboxamide (CID 95981582) is N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-2H-chromene-3-carboxamide is NC(=O)[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-2H-chromene-3-carboxamide?
The InChIKey is UHODIUBQDJWDQW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-14-7-5-11(6-8-14)16(17(20)22)21-18(23)13-9-12-3-1-2-4-15(12)24-10-13/h1-9,16H,10H2,(H2,20,22)(H,21,23)/t16-/m1/s1.
What are the key properties of N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-2H-chromene-3-carboxamide?
N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-2H-chromene-3-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 95981582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).