[2-bromo-5-chloro-4-(1-cyclopropylpropylamino)phenyl]-(4-fluorophenyl)methanone

C19H18BrClFNO — CID 142346528

IUPAC[2-bromo-5-chloro-4-(1-cyclopropylpropylamino)phenyl]-(4-fluorophenyl)methanone
SMILESCCC(Nc1cc(Br)c(C(=O)c2ccc(F)cc2)cc1Cl)C1CC1
InChIInChI=1S/C19H18BrClFNO/c1-2-17(11-3-4-11)23-18-10-15(20)14(9-16(18)21)19(24)12-5-7-13(22)8-6-12/h5-11,17,23H,2-4H2,1H3
InChIKeyZXNMKLJSTCQCPU-UHFFFAOYSA-N
MW410.71 g/mol
LogP6.07
Rot. Bonds6

About [2-bromo-5-chloro-4-(1-cyclopropylpropylamino)phenyl]-(4-fluorophenyl)methanone

[2-bromo-5-chloro-4-(1-cyclopropylpropylamino)phenyl]-(4-fluorophenyl)methanone (PubChem CID 142346528) has the molecular formula C19H18BrClFNO and a molecular weight of 410.71 g/mol. Its IUPAC name is [2-bromo-5-chloro-4-(1-cyclopropylpropylamino)phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-bromo-5-chloro-4-(1-cyclopropylpropylamino)phenyl]-(4-fluorophenyl)methanone
PubChem CID142346528
Molecular FormulaC19H18BrClFNO
Molecular Weight410.71 g/mol
Exact Mass409.02
IUPAC Name[2-bromo-5-chloro-4-(1-cyclopropylpropylamino)phenyl]-(4-fluorophenyl)methanone
SMILESCCC(Nc1cc(Br)c(C(=O)c2ccc(F)cc2)cc1Cl)C1CC1
InChIInChI=1S/C19H18BrClFNO/c1-2-17(11-3-4-11)23-18-10-15(20)14(9-16(18)21)19(24)12-5-7-13(22)8-6-12/h5-11,17,23H,2-4H2,1H3
InChIKeyZXNMKLJSTCQCPU-UHFFFAOYSA-N
XLogP6.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.71
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide
CID 64917782
N-(1-cyclopropylpropyl)-4-fluoroaniline
CID 64918794
3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide
CID 64918833
2,5-dibromo-N-(1-cyclopropylpropyl)aniline
CID 64919710
N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline
CID 64918639
3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline
CID 107364173
4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline
CID 65436466
(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 43161123
N-[5-bromo-2-(4-fluorobenzoyl)-4-methylphenyl]acetamide
CID 156879941
4-(1-cyclopropylpropylamino)-N,N-dimethylbenzamide
CID 64919471
4-[(2-amino-1-cyclopropylethyl)amino]-3-chlorobenzamide
CID 65193649
4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide
CID 43721027

Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-chloro-4-(1-cyclopropylpropylamino)phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-bromo-5-chloro-4-(1-cyclopropylpropylamino)phenyl]-(4-fluorophenyl)methanone (CID 142346528) is [2-bromo-5-chloro-4-(1-cyclopropylpropylamino)phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-bromo-5-chloro-4-(1-cyclopropylpropylamino)phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-bromo-5-chloro-4-(1-cyclopropylpropylamino)phenyl]-(4-fluorophenyl)methanone is CCC(Nc1cc(Br)c(C(=O)c2ccc(F)cc2)cc1Cl)C1CC1.
What is the InChIKey of [2-bromo-5-chloro-4-(1-cyclopropylpropylamino)phenyl]-(4-fluorophenyl)methanone?
The InChIKey is ZXNMKLJSTCQCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClFNO/c1-2-17(11-3-4-11)23-18-10-15(20)14(9-16(18)21)19(24)12-5-7-13(22)8-6-12/h5-11,17,23H,2-4H2,1H3.
What are the key properties of [2-bromo-5-chloro-4-(1-cyclopropylpropylamino)phenyl]-(4-fluorophenyl)methanone?
[2-bromo-5-chloro-4-(1-cyclopropylpropylamino)phenyl]-(4-fluorophenyl)methanone has a molecular weight of 410.71 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-5-chloro-4-(1-cyclopropylpropylamino)phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 142346528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).