N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C16H15ClN2O2 — CID 104667397

IUPACN-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H15ClN2O2/c1-9-6-13(18)12(17)8-14(9)19-16(20)11-2-3-15-10(7-11)4-5-21-15/h2-3,6-8H,4-5,18H2,1H3,(H,19,20)
InChIKeyMYVQRTYWJMLOIV-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.42
Rot. Bonds2

About N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 104667397) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID104667397
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H15ClN2O2/c1-9-6-13(18)12(17)8-14(9)19-16(20)11-2-3-15-10(7-11)4-5-21-15/h2-3,6-8H,4-5,18H2,1H3,(H,19,20)
InChIKeyMYVQRTYWJMLOIV-UHFFFAOYSA-N
XLogP3.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46583863
N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
CID 104667459
N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103479981
N-(4-chloro-2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693481
N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide
CID 113439119
N-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693454
3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid
CID 43171735
N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160884
N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581242
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46412653
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide
CID 79466753
N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86863747

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 104667397) is N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide is Cc1cc(N)c(Cl)cc1NC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is MYVQRTYWJMLOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-9-6-13(18)12(17)8-14(9)19-16(20)11-2-3-15-10(7-11)4-5-21-15/h2-3,6-8H,4-5,18H2,1H3,(H,19,20).
What are the key properties of N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 104667397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).