4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide

C19H28ClN3O2 — CID 139719681

IUPAC4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCN(C)C1(CCNC(=O)c2cc(Cl)c(N)c3c2OCC3)CCCCC1
InChIInChI=1S/C19H28ClN3O2/c1-23(2)19(7-4-3-5-8-19)9-10-22-18(24)14-12-15(20)16(21)13-6-11-25-17(13)14/h12H,3-11,21H2,1-2H3,(H,22,24)
InChIKeyQOXRCDSJNNSMHX-UHFFFAOYSA-N
MW365.91 g/mol
LogP3.24
Rot. Bonds5

About 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide

4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 139719681) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID139719681
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCN(C)C1(CCNC(=O)c2cc(Cl)c(N)c3c2OCC3)CCCCC1
InChIInChI=1S/C19H28ClN3O2/c1-23(2)19(7-4-3-5-8-19)9-10-22-18(24)14-12-15(20)16(21)13-6-11-25-17(13)14/h12H,3-11,21H2,1-2H3,(H,22,24)
InChIKeyQOXRCDSJNNSMHX-UHFFFAOYSA-N
XLogP3.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-benzofuran-7-carboxamide
CID 139719699
4-amino-5-chloro-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide;hydrochloride
CID 70065587
6-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 139719677
4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide
CID 10689599
4-amino-5-chloro-N-[(3-hydroxypiperidin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 66706362
N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,4-dihydroxybenzamide
CID 139719646
4-amino-5-chloro-N-[[3-(cyclobutylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide;oxalic acid
CID 122455062
4-amino-5-chloro-N-[[1-(3,3-dimethoxypropyl)piperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 70303119
4-amino-5-chloro-N-[[(3S,4S)-3-hydroxy-1-(3-methoxypropyl)piperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 66706426
prop-2-enyl 4-[(4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carbonyl)amino]piperidine-1-carboxylate
CID 130302528
5-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide
CID 19783274
4-amino-5-chloro-N-[1-[3-(trideuteriomethoxy)propyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 162656583

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 139719681) is 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide is CN(C)C1(CCNC(=O)c2cc(Cl)c(N)c3c2OCC3)CCCCC1.
What is the InChIKey of 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is QOXRCDSJNNSMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-23(2)19(7-4-3-5-8-19)9-10-22-18(24)14-12-15(20)16(21)13-6-11-25-17(13)14/h12H,3-11,21H2,1-2H3,(H,22,24).
What are the key properties of 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 365.91 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 139719681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).