(4-nitrophenyl) N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]carbamate

C16H15FN2O5 — CID 155749569

IUPAC(4-nitrophenyl) N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]carbamate
SMILESCOc1cc([C@@H](C)NC(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1F
InChIInChI=1S/C16H15FN2O5/c1-10(11-3-8-14(17)15(9-11)23-2)18-16(20)24-13-6-4-12(5-7-13)19(21)22/h3-10H,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyBRUPQSXBKICNDW-SNVBAGLBSA-N
MW334.30 g/mol
LogP3.59
Rot. Bonds5

About (4-nitrophenyl) N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]carbamate

(4-nitrophenyl) N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]carbamate (PubChem CID 155749569) has the molecular formula C16H15FN2O5 and a molecular weight of 334.30 g/mol. Its IUPAC name is (4-nitrophenyl) N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]carbamate
PubChem CID155749569
Molecular FormulaC16H15FN2O5
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name(4-nitrophenyl) N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]carbamate
SMILESCOc1cc([C@@H](C)NC(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1F
InChIInChI=1S/C16H15FN2O5/c1-10(11-3-8-14(17)15(9-11)23-2)18-16(20)24-13-6-4-12(5-7-13)19(21)22/h3-10H,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyBRUPQSXBKICNDW-SNVBAGLBSA-N
XLogP3.59
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4-nitrophenyl) N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-nitrophenyl) N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
CID 86718069
(4-nitrophenyl) N-[(1S)-1-(3-chlorophenyl)ethyl]carbamate
CID 86718082
2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzamide
CID 87021268
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[2-(4-nitroanilino)ethyl]urea
CID 86914296
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-nitrophenyl)thiourea
CID 19675646
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 18097036
1-[1-(4-fluorophenyl)ethyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 47031768
tert-butyl N-[(1S)-1-(4-nitrophenyl)ethyl]carbamate
CID 54477088
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,5-dinitrobenzamide
CID 7034969
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 7816643
(4-nitrophenyl) N-(2,6-difluorobenzoyl)carbamate
CID 57286081
methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate
CID 83069869

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]carbamate?
The IUPAC name of (4-nitrophenyl) N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]carbamate (CID 155749569) is (4-nitrophenyl) N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for (4-nitrophenyl) N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for (4-nitrophenyl) N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]carbamate is COc1cc([C@@H](C)NC(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1F.
What is the InChIKey of (4-nitrophenyl) N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]carbamate?
The InChIKey is BRUPQSXBKICNDW-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15FN2O5/c1-10(11-3-8-14(17)15(9-11)23-2)18-16(20)24-13-6-4-12(5-7-13)19(21)22/h3-10H,1-2H3,(H,18,20)/t10-/m1/s1.
What are the key properties of (4-nitrophenyl) N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]carbamate?
(4-nitrophenyl) N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]carbamate has a molecular weight of 334.30 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 155749569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).