(2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide

C14H18FN3O2 — CID 97434325

IUPAC(2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)N1CCC(=O)NC[C@H]1C
InChIInChI=1S/C14H18FN3O2/c1-9-3-4-11(15)7-12(9)17-14(20)18-6-5-13(19)16-8-10(18)2/h3-4,7,10H,5-6,8H2,1-2H3,(H,16,19)(H,17,20)/t10-/m1/s1
InChIKeyAGAQEVAUNZMYQF-SNVBAGLBSA-N
MW279.31 g/mol
LogP1.88
Rot. Bonds1

About (2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide

(2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide (PubChem CID 97434325) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is (2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
PubChem CID97434325
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name(2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)N1CCC(=O)NC[C@H]1C
InChIInChI=1S/C14H18FN3O2/c1-9-3-4-11(15)7-12(9)17-14(20)18-6-5-13(19)16-8-10(18)2/h3-4,7,10H,5-6,8H2,1-2H3,(H,16,19)(H,17,20)/t10-/m1/s1
InChIKeyAGAQEVAUNZMYQF-SNVBAGLBSA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 97444034
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 72886751
N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 72891428
(2S)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 125164718
(2R)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 125164719
(2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide
CID 82755862
1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61192061
N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588
(2R,4R)-1-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000168
2-[1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61191042
N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide
CID 69203446
2-butyl-N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 70757054

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
The IUPAC name of (2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide (CID 97434325) is (2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide.
What is the SMILES notation for (2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
The canonical SMILES for (2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide is Cc1ccc(F)cc1NC(=O)N1CCC(=O)NC[C@H]1C.
What is the InChIKey of (2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
The InChIKey is AGAQEVAUNZMYQF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-9-3-4-11(15)7-12(9)17-14(20)18-6-5-13(19)16-8-10(18)2/h3-4,7,10H,5-6,8H2,1-2H3,(H,16,19)(H,17,20)/t10-/m1/s1.
What are the key properties of (2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
(2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 97434325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).