(3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C17H17ClN2O — CID 28514089

IUPAC(3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C17H17ClN2O/c18-15-8-4-3-7-14(15)11-20-17(21)16-9-12-5-1-2-6-13(12)10-19-16/h1-8,16,19H,9-11H2,(H,20,21)/t16-/m1/s1
InChIKeyDHAMPAMHIMDAEY-MRXNPFEDSA-N
MW300.79 g/mol
LogP2.67
Rot. Bonds3

About (3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 28514089) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is (3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID28514089
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name(3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C17H17ClN2O/c18-15-8-4-3-7-14(15)11-20-17(21)16-9-12-5-1-2-6-13(12)10-19-16/h1-8,16,19H,9-11H2,(H,20,21)/t16-/m1/s1
InChIKeyDHAMPAMHIMDAEY-MRXNPFEDSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119270632
N-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690377
(3R)-N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 125150718
N-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24705541
N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119275613
(3R)-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28529670
methyl 2-[4-[(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)methyl]phenyl]acetate
CID 58622398
(3S)-N-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 44663666
(2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28944036
N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61283928
N-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 44667925
4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 123698157

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 28514089) is (3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(NCc1ccccc1Cl)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is DHAMPAMHIMDAEY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-15-8-4-3-7-14(15)11-20-17(21)16-9-12-5-1-2-6-13(12)10-19-16/h1-8,16,19H,9-11H2,(H,20,21)/t16-/m1/s1.
What are the key properties of (3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 28514089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).