4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrrole-2-carboxamide

C16H24ClN3O2 — CID 18150713

IUPAC4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cc(Cl)c[nH]1
InChIInChI=1S/C16H24ClN3O2/c17-13-10-14(18-11-13)15(21)19-12-16(4-2-1-3-5-16)20-6-8-22-9-7-20/h10-11,18H,1-9,12H2,(H,19,21)
InChIKeyVOADEQFMEHSEGD-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.43
Rot. Bonds4

About 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 18150713) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID18150713
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cc(Cl)c[nH]1
InChIInChI=1S/C16H24ClN3O2/c17-13-10-14(18-11-13)15(21)19-12-16(4-2-1-3-5-16)20-6-8-22-9-7-20/h10-11,18H,1-9,12H2,(H,19,21)
InChIKeyVOADEQFMEHSEGD-UHFFFAOYSA-N
XLogP2.43
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrrole-2-carboxamide (CID 18150713) is 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrrole-2-carboxamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is VOADEQFMEHSEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c17-13-10-14(18-11-13)15(21)19-12-16(4-2-1-3-5-16)20-6-8-22-9-7-20/h10-11,18H,1-9,12H2,(H,19,21).
What are the key properties of 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 325.84 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18150713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).