N-[(3-bromophenyl)-(1-hydroxycyclopentyl)methyl]-3-chloropyridine-2-carboxamide

C18H18BrClN2O2 — CID 121280934

IUPACN-[(3-bromophenyl)-(1-hydroxycyclopentyl)methyl]-3-chloropyridine-2-carboxamide
SMILESO=C(NC(c1cccc(Br)c1)C1(O)CCCC1)c1ncccc1Cl
InChIInChI=1S/C18H18BrClN2O2/c19-13-6-3-5-12(11-13)16(18(24)8-1-2-9-18)22-17(23)15-14(20)7-4-10-21-15/h3-7,10-11,16,24H,1-2,8-9H2,(H,22,23)
InChIKeyNLCIKQNEDNMKOB-UHFFFAOYSA-N
MW409.71 g/mol
LogP4.27
Rot. Bonds4

About N-[(3-bromophenyl)-(1-hydroxycyclopentyl)methyl]-3-chloropyridine-2-carboxamide

N-[(3-bromophenyl)-(1-hydroxycyclopentyl)methyl]-3-chloropyridine-2-carboxamide (PubChem CID 121280934) has the molecular formula C18H18BrClN2O2 and a molecular weight of 409.71 g/mol. Its IUPAC name is N-[(3-bromophenyl)-(1-hydroxycyclopentyl)methyl]-3-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)-(1-hydroxycyclopentyl)methyl]-3-chloropyridine-2-carboxamide
PubChem CID121280934
Molecular FormulaC18H18BrClN2O2
Molecular Weight409.71 g/mol
Exact Mass408.02
IUPAC NameN-[(3-bromophenyl)-(1-hydroxycyclopentyl)methyl]-3-chloropyridine-2-carboxamide
SMILESO=C(NC(c1cccc(Br)c1)C1(O)CCCC1)c1ncccc1Cl
InChIInChI=1S/C18H18BrClN2O2/c19-13-6-3-5-12(11-13)16(18(24)8-1-2-9-18)22-17(23)15-14(20)7-4-10-21-15/h3-7,10-11,16,24H,1-2,8-9H2,(H,22,23)
InChIKeyNLCIKQNEDNMKOB-UHFFFAOYSA-N
XLogP4.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.71
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)-(1-hydroxycyclopentyl)methyl]-3-chloropyridine-2-carboxamide?
The IUPAC name of N-[(3-bromophenyl)-(1-hydroxycyclopentyl)methyl]-3-chloropyridine-2-carboxamide (CID 121280934) is N-[(3-bromophenyl)-(1-hydroxycyclopentyl)methyl]-3-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)-(1-hydroxycyclopentyl)methyl]-3-chloropyridine-2-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)-(1-hydroxycyclopentyl)methyl]-3-chloropyridine-2-carboxamide is O=C(NC(c1cccc(Br)c1)C1(O)CCCC1)c1ncccc1Cl.
What is the InChIKey of N-[(3-bromophenyl)-(1-hydroxycyclopentyl)methyl]-3-chloropyridine-2-carboxamide?
The InChIKey is NLCIKQNEDNMKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O2/c19-13-6-3-5-12(11-13)16(18(24)8-1-2-9-18)22-17(23)15-14(20)7-4-10-21-15/h3-7,10-11,16,24H,1-2,8-9H2,(H,22,23).
What are the key properties of N-[(3-bromophenyl)-(1-hydroxycyclopentyl)methyl]-3-chloropyridine-2-carboxamide?
N-[(3-bromophenyl)-(1-hydroxycyclopentyl)methyl]-3-chloropyridine-2-carboxamide has a molecular weight of 409.71 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)-(1-hydroxycyclopentyl)methyl]-3-chloropyridine-2-carboxamide is sourced from PubChem (CID 121280934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).