2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide

C19H22ClFN2O3 — CID 45001704

IUPAC2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide
SMILESCOc1ccc(C(CNC(=O)c2c(F)cccc2Cl)N(C)C)cc1OC
InChIInChI=1S/C19H22ClFN2O3/c1-23(2)15(12-8-9-16(25-3)17(10-12)26-4)11-22-19(24)18-13(20)6-5-7-14(18)21/h5-10,15H,11H2,1-4H3,(H,22,24)
InChIKeyBBBPGUDPADRQKM-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.53
Rot. Bonds7

About 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide

2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide (PubChem CID 45001704) has the molecular formula C19H22ClFN2O3 and a molecular weight of 380.85 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide
PubChem CID45001704
Molecular FormulaC19H22ClFN2O3
Molecular Weight380.85 g/mol
Exact Mass380.13
IUPAC Name2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide
SMILESCOc1ccc(C(CNC(=O)c2c(F)cccc2Cl)N(C)C)cc1OC
InChIInChI=1S/C19H22ClFN2O3/c1-23(2)15(12-8-9-16(25-3)17(10-12)26-4)11-22-19(24)18-13(20)6-5-7-14(18)21/h5-10,15H,11H2,1-4H3,(H,22,24)
InChIKeyBBBPGUDPADRQKM-UHFFFAOYSA-N
XLogP3.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide
CID 108537784
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide
CID 90597986
2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 34240994
(E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide
CID 110302847
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 86263927
2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide
CID 30945646
5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 9267207
3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107187
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 2998274
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 90613273

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide (CID 45001704) is 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide is COc1ccc(C(CNC(=O)c2c(F)cccc2Cl)N(C)C)cc1OC.
What is the InChIKey of 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide?
The InChIKey is BBBPGUDPADRQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O3/c1-23(2)15(12-8-9-16(25-3)17(10-12)26-4)11-22-19(24)18-13(20)6-5-7-14(18)21/h5-10,15H,11H2,1-4H3,(H,22,24).
What are the key properties of 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide?
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide has a molecular weight of 380.85 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 45001704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).