4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide

C14H20ClN3O2 — CID 47342565

IUPAC4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
SMILESO=C(CCNC(=O)c1cc(Cl)c[nH]1)NC1CCCCC1
InChIInChI=1S/C14H20ClN3O2/c15-10-8-12(17-9-10)14(20)16-7-6-13(19)18-11-4-2-1-3-5-11/h8-9,11,17H,1-7H2,(H,16,20)(H,18,19)
InChIKeyWFCCRINOHAQLCA-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.24
Rot. Bonds5

About 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide (PubChem CID 47342565) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
PubChem CID47342565
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
SMILESO=C(CCNC(=O)c1cc(Cl)c[nH]1)NC1CCCCC1
InChIInChI=1S/C14H20ClN3O2/c15-10-8-12(17-9-10)14(20)16-7-6-13(19)18-11-4-2-1-3-5-11/h8-9,11,17H,1-7H2,(H,16,20)(H,18,19)
InChIKeyWFCCRINOHAQLCA-UHFFFAOYSA-N
XLogP2.24
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
N-(azepan-4-yl)-4-chloro-1H-pyrrole-2-carboxamide
CID 105060146
5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pentanoic acid
CID 62034657
2,4-dichloro-N-[3-(cyclohexylamino)-3-oxopropyl]-5-fluorobenzamide
CID 60552301
4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 104971798
N-cyclohexyl-3-(3,5-dichloroanilino)propanamide
CID 109014092
5-chloro-N-cyclohexyl-2-oxo-1H-pyridine-3-carboxamide
CID 110848953
N-[3-(cyclopentylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 86828824
4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide
CID 24635141
N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191583
3-(carbamoylamino)-N-cyclohexylpropanamide
CID 47116358

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide (CID 47342565) is 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide is O=C(CCNC(=O)c1cc(Cl)c[nH]1)NC1CCCCC1.
What is the InChIKey of 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide?
The InChIKey is WFCCRINOHAQLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c15-10-8-12(17-9-10)14(20)16-7-6-13(19)18-11-4-2-1-3-5-11/h8-9,11,17H,1-7H2,(H,16,20)(H,18,19).
What are the key properties of 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47342565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).