N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide

C24H26F2N2O4 — CID 42861726

IUPACN-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(CC1CC1)CC1CN(C(=O)c2ccc(F)cc2F)CCO1
InChIInChI=1S/C24H26F2N2O4/c1-31-22-5-3-2-4-20(22)24(30)28(13-16-6-7-16)15-18-14-27(10-11-32-18)23(29)19-9-8-17(25)12-21(19)26/h2-5,8-9,12,16,18H,6-7,10-11,13-15H2,1H3
InChIKeyHZIROJYPOINEDO-UHFFFAOYSA-N
MW444.48 g/mol
LogP3.37
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide

N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide (PubChem CID 42861726) has the molecular formula C24H26F2N2O4 and a molecular weight of 444.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide
PubChem CID42861726
Molecular FormulaC24H26F2N2O4
Molecular Weight444.48 g/mol
Exact Mass444.19
IUPAC NameN-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(CC1CC1)CC1CN(C(=O)c2ccc(F)cc2F)CCO1
InChIInChI=1S/C24H26F2N2O4/c1-31-22-5-3-2-4-20(22)24(30)28(13-16-6-7-16)15-18-14-27(10-11-32-18)23(29)19-9-8-17(25)12-21(19)26/h2-5,8-9,12,16,18H,6-7,10-11,13-15H2,1H3
InChIKeyHZIROJYPOINEDO-UHFFFAOYSA-N
XLogP3.37
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide
CID 42861711
N-(cyclopropylmethyl)-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 46060412
2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 46060538
N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060542
2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 46060541
N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 42861770
N-(cyclopropylmethyl)-4-fluoro-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 129478586
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 46059920
N-[[(2S)-4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
CID 93338336
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 46059905
N-[[4-(2-methoxybenzoyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 42861605
(2R)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 92990154

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide (CID 42861726) is N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)N(CC1CC1)CC1CN(C(=O)c2ccc(F)cc2F)CCO1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide?
The InChIKey is HZIROJYPOINEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O4/c1-31-22-5-3-2-4-20(22)24(30)28(13-16-6-7-16)15-18-14-27(10-11-32-18)23(29)19-9-8-17(25)12-21(19)26/h2-5,8-9,12,16,18H,6-7,10-11,13-15H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide?
N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide has a molecular weight of 444.48 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 42861726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).