2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide

C19H20ClFN2O2 — CID 86297315

IUPAC2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2c(Cl)cccc2NCC2CC2)cc1F
InChIInChI=1S/C19H20ClFN2O2/c1-25-17-8-7-13(9-15(17)21)11-23-19(24)18-14(20)3-2-4-16(18)22-10-12-5-6-12/h2-4,7-9,12,22H,5-6,10-11H2,1H3,(H,23,24)
InChIKeyDHDAGQOQRSQUHU-UHFFFAOYSA-N
MW362.83 g/mol
LogP4.24
Rot. Bonds7

About 2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide

2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide (PubChem CID 86297315) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
PubChem CID86297315
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2c(Cl)cccc2NCC2CC2)cc1F
InChIInChI=1S/C19H20ClFN2O2/c1-25-17-8-7-13(9-15(17)21)11-23-19(24)18-14(20)3-2-4-16(18)22-10-12-5-6-12/h2-4,7-9,12,22H,5-6,10-11H2,1H3,(H,23,24)
InChIKeyDHDAGQOQRSQUHU-UHFFFAOYSA-N
XLogP4.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide
CID 144727901
2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 86296544
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide
CID 86297319
4-chloro-2-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridine-3-carboxamide;4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxypropylamino)pyridine-3-carboxamide;ethane
CID 144727907
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide
CID 86297131
3-[[(2S)-2-amino-3-hydroxypropyl]amino]-6-chloro-2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 169102738
N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784344
2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane
CID 144727883
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide
CID 86295295
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 82133842

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide (CID 86297315) is 2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2c(Cl)cccc2NCC2CC2)cc1F.
What is the InChIKey of 2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
The InChIKey is DHDAGQOQRSQUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-25-17-8-7-13(9-15(17)21)11-23-19(24)18-14(20)3-2-4-16(18)22-10-12-5-6-12/h2-4,7-9,12,22H,5-6,10-11H2,1H3,(H,23,24).
What are the key properties of 2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide has a molecular weight of 362.83 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 86297315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).