4-[(3-bromophenyl)methoxy]-3-chloro-N-(1,3-diaminopropan-2-yl)benzamide

C17H19BrClN3O2 — CID 167761096

IUPAC4-[(3-bromophenyl)methoxy]-3-chloro-N-(1,3-diaminopropan-2-yl)benzamide
SMILESNCC(CN)NC(=O)c1ccc(OCc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C17H19BrClN3O2/c18-13-3-1-2-11(6-13)10-24-16-5-4-12(7-15(16)19)17(23)22-14(8-20)9-21/h1-7,14H,8-10,20-21H2,(H,22,23)
InChIKeyQKKFALPVUXGBMM-UHFFFAOYSA-N
MW412.72 g/mol
LogP2.70
Rot. Bonds7

About 4-[(3-bromophenyl)methoxy]-3-chloro-N-(1,3-diaminopropan-2-yl)benzamide

4-[(3-bromophenyl)methoxy]-3-chloro-N-(1,3-diaminopropan-2-yl)benzamide (PubChem CID 167761096) has the molecular formula C17H19BrClN3O2 and a molecular weight of 412.72 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methoxy]-3-chloro-N-(1,3-diaminopropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(3-bromophenyl)methoxy]-3-chloro-N-(1,3-diaminopropan-2-yl)benzamide
PubChem CID167761096
Molecular FormulaC17H19BrClN3O2
Molecular Weight412.72 g/mol
Exact Mass411.03
IUPAC Name4-[(3-bromophenyl)methoxy]-3-chloro-N-(1,3-diaminopropan-2-yl)benzamide
SMILESNCC(CN)NC(=O)c1ccc(OCc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C17H19BrClN3O2/c18-13-3-1-2-11(6-13)10-24-16-5-4-12(7-15(16)19)17(23)22-14(8-20)9-21/h1-7,14H,8-10,20-21H2,(H,22,23)
InChIKeyQKKFALPVUXGBMM-UHFFFAOYSA-N
XLogP2.70
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.72
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-bromophenyl)methoxy]-3-chlorobenzamide
CID 91683338
4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide
CID 82828617
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683384
methyl (E)-3-[4-[(3-bromophenyl)methoxy]-3-chlorophenyl]prop-2-enoate
CID 91684869
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-propan-2-ylbenzamide
CID 155154016
3-chloro-4-[(3-chlorophenyl)methoxy]benzoate
CID 8707027
3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide
CID 25195088
3-bromo-4-[(3-bromophenyl)methoxy]benzenecarbothioamide
CID 82827382
3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one
CID 117468024
5-bromo-2-[(3-bromophenyl)methoxy]benzamide
CID 91683518
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methoxy]-3-chloro-N-(1,3-diaminopropan-2-yl)benzamide?
The IUPAC name of 4-[(3-bromophenyl)methoxy]-3-chloro-N-(1,3-diaminopropan-2-yl)benzamide (CID 167761096) is 4-[(3-bromophenyl)methoxy]-3-chloro-N-(1,3-diaminopropan-2-yl)benzamide.
What is the SMILES notation for 4-[(3-bromophenyl)methoxy]-3-chloro-N-(1,3-diaminopropan-2-yl)benzamide?
The canonical SMILES for 4-[(3-bromophenyl)methoxy]-3-chloro-N-(1,3-diaminopropan-2-yl)benzamide is NCC(CN)NC(=O)c1ccc(OCc2cccc(Br)c2)c(Cl)c1.
What is the InChIKey of 4-[(3-bromophenyl)methoxy]-3-chloro-N-(1,3-diaminopropan-2-yl)benzamide?
The InChIKey is QKKFALPVUXGBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN3O2/c18-13-3-1-2-11(6-13)10-24-16-5-4-12(7-15(16)19)17(23)22-14(8-20)9-21/h1-7,14H,8-10,20-21H2,(H,22,23).
What are the key properties of 4-[(3-bromophenyl)methoxy]-3-chloro-N-(1,3-diaminopropan-2-yl)benzamide?
4-[(3-bromophenyl)methoxy]-3-chloro-N-(1,3-diaminopropan-2-yl)benzamide has a molecular weight of 412.72 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methoxy]-3-chloro-N-(1,3-diaminopropan-2-yl)benzamide is sourced from PubChem (CID 167761096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).