1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide

C21H24BrN3O2 — CID 55962698

IUPAC1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(c2ccc(Br)cc2)CCCC1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C21H24BrN3O2/c1-14(15-4-10-18(11-5-15)25-20(23)27)24-19(26)21(12-2-3-13-21)16-6-8-17(22)9-7-16/h4-11,14H,2-3,12-13H2,1H3,(H,24,26)(H3,23,25,27)
InChIKeySNSMEEFSJSMFBJ-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.63
Rot. Bonds5

About 1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide

1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide (PubChem CID 55962698) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide
PubChem CID55962698
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC Name1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(c2ccc(Br)cc2)CCCC1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C21H24BrN3O2/c1-14(15-4-10-18(11-5-15)25-20(23)27)24-19(26)21(12-2-3-13-21)16-6-8-17(22)9-7-16/h4-11,14H,2-3,12-13H2,1H3,(H,24,26)(H3,23,25,27)
InChIKeySNSMEEFSJSMFBJ-UHFFFAOYSA-N
XLogP4.63
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119721956
1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 81359922
(2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid
CID 119243849
1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide
CID 46561555
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 95086523
1-(4-bromophenyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclobutane-1-carboxamide
CID 112836167
1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 55520759
methyl 4-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]benzoate
CID 18277869
3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide
CID 64891106
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide
CID 107903500
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917
1-(4-bromophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108869222

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide (CID 55962698) is 1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide is CC(NC(=O)C1(c2ccc(Br)cc2)CCCC1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide?
The InChIKey is SNSMEEFSJSMFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2/c1-14(15-4-10-18(11-5-15)25-20(23)27)24-19(26)21(12-2-3-13-21)16-6-8-17(22)9-7-16/h4-11,14H,2-3,12-13H2,1H3,(H,24,26)(H3,23,25,27).
What are the key properties of 1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide?
1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide has a molecular weight of 430.35 g/mol, XLogP of 4.63, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55962698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).