N-[(4-chlorophenyl)-cyclobutylmethyl]-3-(furan-2-yl)prop-2-enamide

C18H18ClNO2 — CID 72687983

IUPACN-[(4-chlorophenyl)-cyclobutylmethyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NC(c1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C18H18ClNO2/c19-15-8-6-14(7-9-15)18(13-3-1-4-13)20-17(21)11-10-16-5-2-12-22-16/h2,5-13,18H,1,3-4H2,(H,20,21)
InChIKeySYSNGZSKCNXNGT-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.60
Rot. Bonds5

About N-[(4-chlorophenyl)-cyclobutylmethyl]-3-(furan-2-yl)prop-2-enamide

N-[(4-chlorophenyl)-cyclobutylmethyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 72687983) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclobutylmethyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclobutylmethyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID72687983
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC NameN-[(4-chlorophenyl)-cyclobutylmethyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NC(c1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C18H18ClNO2/c19-15-8-6-14(7-9-15)18(13-3-1-4-13)20-17(21)11-10-16-5-2-12-22-16/h2,5-13,18H,1,3-4H2,(H,20,21)
InChIKeySYSNGZSKCNXNGT-UHFFFAOYSA-N
XLogP4.60
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-cyclopropyl-3-(furan-2-yl)prop-2-enamide
CID 963880
2-cyclopropyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetic acid
CID 55108577
N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]furan-2-carboxamide
CID 40919026
1-[(4-chlorophenyl)-cyclobutylmethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111104244
3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 3824750
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
(E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7944605
(E)-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 46629130
(E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 779270
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide
CID 77114393
(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide
CID 119318612

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclobutylmethyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-[(4-chlorophenyl)-cyclobutylmethyl]-3-(furan-2-yl)prop-2-enamide (CID 72687983) is N-[(4-chlorophenyl)-cyclobutylmethyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclobutylmethyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-[(4-chlorophenyl)-cyclobutylmethyl]-3-(furan-2-yl)prop-2-enamide is O=C(C=Cc1ccco1)NC(c1ccc(Cl)cc1)C1CCC1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclobutylmethyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is SYSNGZSKCNXNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c19-15-8-6-14(7-9-15)18(13-3-1-4-13)20-17(21)11-10-16-5-2-12-22-16/h2,5-13,18H,1,3-4H2,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)-cyclobutylmethyl]-3-(furan-2-yl)prop-2-enamide?
N-[(4-chlorophenyl)-cyclobutylmethyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 315.80 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclobutylmethyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 72687983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).