4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C18H17ClFNO2 — CID 97429752

IUPAC4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCOc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C18H17ClFNO2/c1-23-13-6-8-14-11(9-13)3-2-4-17(14)21-18(22)15-7-5-12(19)10-16(15)20/h5-10,17H,2-4H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyXRAHSFKEZYVNNQ-QGZVFWFLSA-N
MW333.79 g/mol
LogP4.30
Rot. Bonds3

About 4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 97429752) has the molecular formula C18H17ClFNO2 and a molecular weight of 333.79 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID97429752
Molecular FormulaC18H17ClFNO2
Molecular Weight333.79 g/mol
Exact Mass333.09
IUPAC Name4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCOc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C18H17ClFNO2/c1-23-13-6-8-14-11(9-13)3-2-4-17(14)21-18(22)15-7-5-12(19)10-16(15)20/h5-10,17H,2-4H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyXRAHSFKEZYVNNQ-QGZVFWFLSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzamide
CID 133200269
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
1-[(4-chlorophenyl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 59088067
3-(2,6-difluorophenyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 166973079
2-(2-chlorophenyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100633564
(2R)-2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119289450
2-amino-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methylpyrimidine-4-carboxamide
CID 125157762
4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 129365353
N-(3-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43094337
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpiperidine-4-carboxamide
CID 95706262
1-(3-methoxyphenyl)-3-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 29028111
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 97429752) is 4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is XRAHSFKEZYVNNQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17ClFNO2/c1-23-13-6-8-14-11(9-13)3-2-4-17(14)21-18(22)15-7-5-12(19)10-16(15)20/h5-10,17H,2-4H2,1H3,(H,21,22)/t17-/m1/s1.
What are the key properties of 4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 333.79 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 97429752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).