1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide

C16H20BrNO2 — CID 103280163

IUPAC1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CCC(O)C1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H20BrNO2/c17-13-4-2-12(3-5-13)16(7-8-16)15(20)18-10-11-1-6-14(19)9-11/h2-5,11,14,19H,1,6-10H2,(H,18,20)
InChIKeyOKLRCGRRILULHD-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.76
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide (PubChem CID 103280163) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide
PubChem CID103280163
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC Name1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CCC(O)C1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H20BrNO2/c17-13-4-2-12(3-5-13)16(7-8-16)15(20)18-10-11-1-6-14(19)9-11/h2-5,11,14,19H,1,6-10H2,(H,18,20)
InChIKeyOKLRCGRRILULHD-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide (CID 103280163) is 1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide is O=C(NCC1CCC(O)C1)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is OKLRCGRRILULHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c17-13-4-2-12(3-5-13)16(7-8-16)15(20)18-10-11-1-6-14(19)9-11/h2-5,11,14,19H,1,6-10H2,(H,18,20).
What are the key properties of 1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 338.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 103280163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).