N-[(5-chlorofuran-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide

C16H17ClN2O2 — CID 166191822

IUPACN-[(5-chlorofuran-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)o1)N1CCCc2ccccc2C1
InChIInChI=1S/C16H17ClN2O2/c17-15-8-7-14(21-15)10-18-16(20)19-9-3-6-12-4-1-2-5-13(12)11-19/h1-2,4-5,7-8H,3,6,9-11H2,(H,18,20)
InChIKeyDEJJMCGWJXRWQV-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.59
Rot. Bonds2

About N-[(5-chlorofuran-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide

N-[(5-chlorofuran-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide (PubChem CID 166191822) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
PubChem CID166191822
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)o1)N1CCCc2ccccc2C1
InChIInChI=1S/C16H17ClN2O2/c17-15-8-7-14(21-15)10-18-16(20)19-9-3-6-12-4-1-2-5-13(12)11-19/h1-2,4-5,7-8H,3,6,9-11H2,(H,18,20)
InChIKeyDEJJMCGWJXRWQV-UHFFFAOYSA-N
XLogP3.59
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2,2-trifluoroethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
CID 115616978
N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 16645751
2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonylamino)ethoxy]acetic acid
CID 79463216
3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonylamino)butanoic acid
CID 63153924
2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide
CID 63153884
ethane;1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 143511825
N-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 60595547
(2-amino-5-chlorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63155033
N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108888580
N-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108864780
N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 122139331
2-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 63154719

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide (CID 166191822) is N-[(5-chlorofuran-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide is O=C(NCc1ccc(Cl)o1)N1CCCc2ccccc2C1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide?
The InChIKey is DEJJMCGWJXRWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-15-8-7-14(21-15)10-18-16(20)19-9-3-6-12-4-1-2-5-13(12)11-19/h1-2,4-5,7-8H,3,6,9-11H2,(H,18,20).
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide?
N-[(5-chlorofuran-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide is sourced from PubChem (CID 166191822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).