4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide

C20H25BrN2O — CID 55837884

IUPAC4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
SMILESCc1cc(Br)ccc1C(=O)NCc1ccccc1CN(C)C(C)C
InChIInChI=1S/C20H25BrN2O/c1-14(2)23(4)13-17-8-6-5-7-16(17)12-22-20(24)19-10-9-18(21)11-15(19)3/h5-11,14H,12-13H2,1-4H3,(H,22,24)
InChIKeyKSSFEHAXVMJWLP-UHFFFAOYSA-N
MW389.34 g/mol
LogP4.53
Rot. Bonds6

About 4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide

4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide (PubChem CID 55837884) has the molecular formula C20H25BrN2O and a molecular weight of 389.34 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
PubChem CID55837884
Molecular FormulaC20H25BrN2O
Molecular Weight389.34 g/mol
Exact Mass388.12
IUPAC Name4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
SMILESCc1cc(Br)ccc1C(=O)NCc1ccccc1CN(C)C(C)C
InChIInChI=1S/C20H25BrN2O/c1-14(2)23(4)13-17-8-6-5-7-16(17)12-22-20(24)19-10-9-18(21)11-15(19)3/h5-11,14H,12-13H2,1-4H3,(H,22,24)
InChIKeyKSSFEHAXVMJWLP-UHFFFAOYSA-N
XLogP4.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]acetamide
CID 46470222
2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride
CID 119946480
3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 46474128
4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598731
3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 46470339
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 55694833
2,4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 86986197
2-methyl-1-[(2-methylphenyl)methyl]-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]guanidine;hydroiodide
CID 111359804
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-naphthalen-2-ylacetamide
CID 46455853
3-(2,4-dimethylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide
CID 46470304
4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 55694979
2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 55837756

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide?
The IUPAC name of 4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide (CID 55837884) is 4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide is Cc1cc(Br)ccc1C(=O)NCc1ccccc1CN(C)C(C)C.
What is the InChIKey of 4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide?
The InChIKey is KSSFEHAXVMJWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O/c1-14(2)23(4)13-17-8-6-5-7-16(17)12-22-20(24)19-10-9-18(21)11-15(19)3/h5-11,14H,12-13H2,1-4H3,(H,22,24).
What are the key properties of 4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide?
4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide has a molecular weight of 389.34 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 55837884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).