(3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide

C13H16ClFN2O3 — CID 125169396

IUPAC(3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCOC[C@H]2CO)c(Cl)cc1F
InChIInChI=1S/C13H16ClFN2O3/c1-8-4-12(10(14)5-11(8)15)16-13(19)17-2-3-20-7-9(17)6-18/h4-5,9,18H,2-3,6-7H2,1H3,(H,16,19)/t9-/m1/s1
InChIKeyPQXLZRKEUUYTEW-SECBINFHSA-N
MW302.73 g/mol
LogP2.01
Rot. Bonds2

About (3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide

(3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide (PubChem CID 125169396) has the molecular formula C13H16ClFN2O3 and a molecular weight of 302.73 g/mol. Its IUPAC name is (3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide
PubChem CID125169396
Molecular FormulaC13H16ClFN2O3
Molecular Weight302.73 g/mol
Exact Mass302.08
IUPAC Name(3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCOC[C@H]2CO)c(Cl)cc1F
InChIInChI=1S/C13H16ClFN2O3/c1-8-4-12(10(14)5-11(8)15)16-13(19)17-2-3-20-7-9(17)6-18/h4-5,9,18H,2-3,6-7H2,1H3,(H,16,19)/t9-/m1/s1
InChIKeyPQXLZRKEUUYTEW-SECBINFHSA-N
XLogP2.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(hydroxymethyl)morpholine-4-carboxamide
CID 97276126
(2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide
CID 97279136
(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 106861970
(2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
CID 97040195
(3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide
CID 97445345
2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid
CID 61201654
3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide
CID 130520854
(2S)-N-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104556
(3S,4S)-1-[(2-chloro-4-fluoro-5-methylphenyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122093239
(3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide
CID 97433996
5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid
CID 61202010
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide?
The IUPAC name of (3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide (CID 125169396) is (3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for (3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide?
The canonical SMILES for (3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide is Cc1cc(NC(=O)N2CCOC[C@H]2CO)c(Cl)cc1F.
What is the InChIKey of (3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide?
The InChIKey is PQXLZRKEUUYTEW-SECBINFHSA-N. The full InChI is InChI=1S/C13H16ClFN2O3/c1-8-4-12(10(14)5-11(8)15)16-13(19)17-2-3-20-7-9(17)6-18/h4-5,9,18H,2-3,6-7H2,1H3,(H,16,19)/t9-/m1/s1.
What are the key properties of (3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide?
(3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide has a molecular weight of 302.73 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 125169396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).