(2,4-difluorophenyl) N-[1-(4-butoxyphenyl)propyl]carbamate

C20H23F2NO3 — CID 20872683

IUPAC(2,4-difluorophenyl) N-[1-(4-butoxyphenyl)propyl]carbamate
SMILESCCCCOc1ccc(C(CC)NC(=O)Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H23F2NO3/c1-3-5-12-25-16-9-6-14(7-10-16)18(4-2)23-20(24)26-19-11-8-15(21)13-17(19)22/h6-11,13,18H,3-5,12H2,1-2H3,(H,23,24)
InChIKeyOUGGRSQJZDSDPU-UHFFFAOYSA-N
MW363.40 g/mol
LogP5.38
Rot. Bonds8

About (2,4-difluorophenyl) N-[1-(4-butoxyphenyl)propyl]carbamate

(2,4-difluorophenyl) N-[1-(4-butoxyphenyl)propyl]carbamate (PubChem CID 20872683) has the molecular formula C20H23F2NO3 and a molecular weight of 363.40 g/mol. Its IUPAC name is (2,4-difluorophenyl) N-[1-(4-butoxyphenyl)propyl]carbamate.

Molecular Properties

Compound Name(2,4-difluorophenyl) N-[1-(4-butoxyphenyl)propyl]carbamate
PubChem CID20872683
Molecular FormulaC20H23F2NO3
Molecular Weight363.40 g/mol
Exact Mass363.16
IUPAC Name(2,4-difluorophenyl) N-[1-(4-butoxyphenyl)propyl]carbamate
SMILESCCCCOc1ccc(C(CC)NC(=O)Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H23F2NO3/c1-3-5-12-25-16-9-6-14(7-10-16)18(4-2)23-20(24)26-19-11-8-15(21)13-17(19)22/h6-11,13,18H,3-5,12H2,1-2H3,(H,23,24)
InChIKeyOUGGRSQJZDSDPU-UHFFFAOYSA-N
XLogP5.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.40
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide
CID 46448423
4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 46530040
(2,4-difluorophenyl) propanoate
CID 18525986
2-(2-bromo-4-fluorophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18115468
2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 9296856
3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51199371
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 27853735
(4-butoxyphenyl)-(3,5-difluorophenyl)methanol
CID 105093285
1-O-(2,4-difluorophenyl) 3-O-ethyl 2-ethylpropanedioate
CID 170923141
N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide
CID 43060292
4-heptoxy-N-(1-phenylpropyl)benzamide
CID 43911534
(2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate
CID 116819702

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl) N-[1-(4-butoxyphenyl)propyl]carbamate?
The IUPAC name of (2,4-difluorophenyl) N-[1-(4-butoxyphenyl)propyl]carbamate (CID 20872683) is (2,4-difluorophenyl) N-[1-(4-butoxyphenyl)propyl]carbamate.
What is the SMILES notation for (2,4-difluorophenyl) N-[1-(4-butoxyphenyl)propyl]carbamate?
The canonical SMILES for (2,4-difluorophenyl) N-[1-(4-butoxyphenyl)propyl]carbamate is CCCCOc1ccc(C(CC)NC(=O)Oc2ccc(F)cc2F)cc1.
What is the InChIKey of (2,4-difluorophenyl) N-[1-(4-butoxyphenyl)propyl]carbamate?
The InChIKey is OUGGRSQJZDSDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO3/c1-3-5-12-25-16-9-6-14(7-10-16)18(4-2)23-20(24)26-19-11-8-15(21)13-17(19)22/h6-11,13,18H,3-5,12H2,1-2H3,(H,23,24).
What are the key properties of (2,4-difluorophenyl) N-[1-(4-butoxyphenyl)propyl]carbamate?
(2,4-difluorophenyl) N-[1-(4-butoxyphenyl)propyl]carbamate has a molecular weight of 363.40 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl) N-[1-(4-butoxyphenyl)propyl]carbamate is sourced from PubChem (CID 20872683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).