1-(4-chloro-3-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]urea

C15H16ClN3O5 — CID 51115154

IUPAC1-(4-chloro-3-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
SMILESO=C(NCCCOCc1ccco1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16ClN3O5/c16-13-5-4-11(9-14(13)19(21)22)18-15(20)17-6-2-7-23-10-12-3-1-8-24-12/h1,3-5,8-9H,2,6-7,10H2,(H2,17,18,20)
InChIKeySFHHAHRSDRFNAP-UHFFFAOYSA-N
MW353.76 g/mol
LogP3.57
Rot. Bonds8

About 1-(4-chloro-3-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]urea

1-(4-chloro-3-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]urea (PubChem CID 51115154) has the molecular formula C15H16ClN3O5 and a molecular weight of 353.76 g/mol. Its IUPAC name is 1-(4-chloro-3-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]urea.

Molecular Properties

Compound Name1-(4-chloro-3-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
PubChem CID51115154
Molecular FormulaC15H16ClN3O5
Molecular Weight353.76 g/mol
Exact Mass353.08
IUPAC Name1-(4-chloro-3-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
SMILESO=C(NCCCOCc1ccco1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16ClN3O5/c16-13-5-4-11(9-14(13)19(21)22)18-15(20)17-6-2-7-23-10-12-3-1-8-24-12/h1,3-5,8-9H,2,6-7,10H2,(H2,17,18,20)
InChIKeySFHHAHRSDRFNAP-UHFFFAOYSA-N
XLogP3.57
TPSA106.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.76
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-3-nitrophenyl)-3-(3-propan-2-yloxypropyl)urea
CID 47032332
1-(2-chloro-5-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]thiourea
CID 8563965
1-(4-chloro-3-nitrophenyl)-3-(2-ethoxyethyl)urea
CID 47248429
1-(4-chloro-3-nitrophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890610
1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea
CID 47126067
1-[2-(difluoromethoxy)-5-nitrophenyl]-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 87010348
1-[3-(1,3-dithian-2-yl)phenyl]-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 55699175
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
1-(4-chloro-3-nitrophenyl)-3-(phenoxymethyl)urea
CID 108888829
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea
CID 24528840
1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 47040367
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]urea?
The IUPAC name of 1-(4-chloro-3-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]urea (CID 51115154) is 1-(4-chloro-3-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]urea.
What is the SMILES notation for 1-(4-chloro-3-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]urea?
The canonical SMILES for 1-(4-chloro-3-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]urea is O=C(NCCCOCc1ccco1)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-chloro-3-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]urea?
The InChIKey is SFHHAHRSDRFNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O5/c16-13-5-4-11(9-14(13)19(21)22)18-15(20)17-6-2-7-23-10-12-3-1-8-24-12/h1,3-5,8-9H,2,6-7,10H2,(H2,17,18,20).
What are the key properties of 1-(4-chloro-3-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]urea?
1-(4-chloro-3-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]urea has a molecular weight of 353.76 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]urea is sourced from PubChem (CID 51115154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).