2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide

C13H18ClFN2O2 — CID 125438904

IUPAC2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC[C@@H](O)CN(C)C)c1Cl
InChIInChI=1S/C13H18ClFN2O2/c1-8-4-5-10(15)11(12(8)14)13(19)16-6-9(18)7-17(2)3/h4-5,9,18H,6-7H2,1-3H3,(H,16,19)/t9-/m1/s1
InChIKeyFAGJWTBPMSYLHC-SECBINFHSA-N
MW288.75 g/mol
LogP1.44
Rot. Bonds5

About 2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide

2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide (PubChem CID 125438904) has the molecular formula C13H18ClFN2O2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide
PubChem CID125438904
Molecular FormulaC13H18ClFN2O2
Molecular Weight288.75 g/mol
Exact Mass288.10
IUPAC Name2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC[C@@H](O)CN(C)C)c1Cl
InChIInChI=1S/C13H18ClFN2O2/c1-8-4-5-10(15)11(12(8)14)13(19)16-6-9(18)7-17(2)3/h4-5,9,18H,6-7H2,1-3H3,(H,16,19)/t9-/m1/s1
InChIKeyFAGJWTBPMSYLHC-SECBINFHSA-N
XLogP1.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide
CID 110281414
N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide
CID 110281401
2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide
CID 110281459
1-(2-chloro-6-fluoro-3-methylphenyl)ethanone
CID 2773655
2-chloro-6-fluoro-3-methylbenzoic acid
CID 2773668
N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-5-hydroxypyridine-2-carboxamide
CID 125438798
N-(2-chloro-2-cyclopropylethyl)-2,6-difluoro-3-methylbenzamide
CID 82818366
2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one
CID 84681361
2-chloro-N-[5-(ethylcarbamoyl)-2-methylphenyl]-6-fluoro-3-methylbenzamide
CID 131934850
5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175370
N-[3-(dimethylamino)-2-hydroxypropyl]-4-ethynylbenzamide
CID 134264407
1-(2-chloro-4-fluoro-5-methylanilino)-3-(dimethylamino)propan-2-ol
CID 112734648

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide?
The IUPAC name of 2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide (CID 125438904) is 2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide?
The canonical SMILES for 2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide is Cc1ccc(F)c(C(=O)NC[C@@H](O)CN(C)C)c1Cl.
What is the InChIKey of 2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide?
The InChIKey is FAGJWTBPMSYLHC-SECBINFHSA-N. The full InChI is InChI=1S/C13H18ClFN2O2/c1-8-4-5-10(15)11(12(8)14)13(19)16-6-9(18)7-17(2)3/h4-5,9,18H,6-7H2,1-3H3,(H,16,19)/t9-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide?
2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide has a molecular weight of 288.75 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide is sourced from PubChem (CID 125438904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).