1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea

C19H21BrN2O — CID 30303125

IUPAC1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCN(Cc1ccc(Br)cc1)C(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C19H21BrN2O/c1-22(13-15-7-9-17(20)10-8-15)18(23)21-14-19(11-12-19)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,23)
InChIKeyPWUYSMBYUDLGFB-UHFFFAOYSA-N
MW373.29 g/mol
LogP4.32
Rot. Bonds5

About 1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea

1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea (PubChem CID 30303125) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea
PubChem CID30303125
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCN(Cc1ccc(Br)cc1)C(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C19H21BrN2O/c1-22(13-15-7-9-17(20)10-8-15)18(23)21-14-19(11-12-19)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,23)
InChIKeyPWUYSMBYUDLGFB-UHFFFAOYSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-[(1-phenylcyclopropyl)methyl]-1-propan-2-ylurea
CID 113213861
3-[[benzyl(methyl)carbamoyl]amino]-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 56553427
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea
CID 122563898
3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid
CID 119911689
1-[(4-bromophenyl)methyl]-3-[(2-fluorophenyl)methyl]-1-methylurea
CID 38945216
2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide
CID 42938996
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
1-[[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451335
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 34557487
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
1-[(4-bromophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 31770987

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea (CID 30303125) is 1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea is CN(Cc1ccc(Br)cc1)C(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea?
The InChIKey is PWUYSMBYUDLGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O/c1-22(13-15-7-9-17(20)10-8-15)18(23)21-14-19(11-12-19)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,23).
What are the key properties of 1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea?
1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea has a molecular weight of 373.29 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 30303125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).