4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide

C20H19BrN2O2 — CID 55556786

IUPAC4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)C2(c3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C20H19BrN2O2/c21-15-3-1-2-14(12-15)20(10-11-20)19(25)23-17-6-4-13(5-7-17)18(24)22-16-8-9-16/h1-7,12,16H,8-11H2,(H,22,24)(H,23,25)
InChIKeyMQKDCCRNVOZVTD-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.01
Rot. Bonds5

About 4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide

4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide (PubChem CID 55556786) has the molecular formula C20H19BrN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide
PubChem CID55556786
Molecular FormulaC20H19BrN2O2
Molecular Weight399.29 g/mol
Exact Mass398.06
IUPAC Name4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)C2(c3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C20H19BrN2O2/c21-15-3-1-2-14(12-15)20(10-11-20)19(25)23-17-6-4-13(5-7-17)18(24)22-16-8-9-16/h1-7,12,16H,8-11H2,(H,22,24)(H,23,25)
InChIKeyMQKDCCRNVOZVTD-UHFFFAOYSA-N
XLogP4.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043419
4-[[1-(3-bromophenyl)cyclopentanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 112815054
3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide
CID 134047957
N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide
CID 119475744
cis-(1S,3R)-3-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675228
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
CID 55715107
1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
CID 55624123
1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134062088
4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]-N-propan-2-ylbenzamide
CID 55887284
1-[[5-(3-bromophenyl)spiro[2.3]hexane-5-carbonyl]amino]-3-cyclopropylthiourea
CID 170737210
N-[4-(cyclopropylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120619359

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide (CID 55556786) is 4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccc(NC(=O)C2(c3cccc(Br)c3)CC2)cc1.
What is the InChIKey of 4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide?
The InChIKey is MQKDCCRNVOZVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O2/c21-15-3-1-2-14(12-15)20(10-11-20)19(25)23-17-6-4-13(5-7-17)18(24)22-16-8-9-16/h1-7,12,16H,8-11H2,(H,22,24)(H,23,25).
What are the key properties of 4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide?
4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide has a molecular weight of 399.29 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 55556786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).